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T7S : Summary

Code

T7S

One-letter code

X

Molecule name

1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
OpenEye OEToolkits 2.0.7 1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)ethanone

Formula

C13 H22 N2 O2

Formal charge

0

Molecular weight

238.326 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)C(=O)N2CCCCC2
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)N2CCCCC2
Canonical SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)C(=O)N2CCCCC2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)N2CCCCC2

IUPAC InChI

InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3

IUPAC InChI key

VFXWKIZCOQQJGS-UHFFFAOYSA-N
T7S

wwPDB Information

Atom count

39 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned