(7S)-7-(piperidine-1-carbonyl)azepan-2-one

C12H20N2O2 — CID 164630527

IUPAC(7S)-7-(piperidine-1-carbonyl)azepan-2-one
SMILESO=C1CCCC[C@@H](C(=O)N2CCCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-7-3-2-6-10(13-11)12(16)14-8-4-1-5-9-14/h10H,1-9H2,(H,13,15)/t10-/m0/s1
InChIKeyXDMCLMJJEKKVIR-JTQLQIEISA-N
MW224.30 g/mol
LogP1.06
Rot. Bonds1

About (7S)-7-(piperidine-1-carbonyl)azepan-2-one

(7S)-7-(piperidine-1-carbonyl)azepan-2-one (PubChem CID 164630527) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (7S)-7-(piperidine-1-carbonyl)azepan-2-one.

Molecular Properties

Compound Name(7S)-7-(piperidine-1-carbonyl)azepan-2-one
PubChem CID164630527
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(7S)-7-(piperidine-1-carbonyl)azepan-2-one
SMILESO=C1CCCC[C@@H](C(=O)N2CCCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-7-3-2-6-10(13-11)12(16)14-8-4-1-5-9-14/h10H,1-9H2,(H,13,15)/t10-/m0/s1
InChIKeyXDMCLMJJEKKVIR-JTQLQIEISA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
CID 10966632
N-[(3R)-2-oxoazepan-3-yl]hexadecanamide
CID 11152812
N-[(3S)-2-oxoazepan-3-yl]tetradecanamide
CID 11267753
N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11370332
N-[(3S)-2-oxoazepan-3-yl]undecanamide
CID 11460676
N-[(3S)-2-oxoazepan-3-yl]hexadecanamide
CID 11485417
Tocris-1628
CID 6604894
(S)-2,6-diamino-1-(piperidin-1-yl)hexan-1-one
CID 10443207
2,6-Diamino-1-piperidin-1-yl-hexan-1-one
CID 18398588
N-(2-oxoazepan-3-yl)acetamide
CID 14289832

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(piperidine-1-carbonyl)azepan-2-one?
The IUPAC name of (7S)-7-(piperidine-1-carbonyl)azepan-2-one (CID 164630527) is (7S)-7-(piperidine-1-carbonyl)azepan-2-one.
What is the SMILES notation for (7S)-7-(piperidine-1-carbonyl)azepan-2-one?
The canonical SMILES for (7S)-7-(piperidine-1-carbonyl)azepan-2-one is O=C1CCCC[C@@H](C(=O)N2CCCCC2)N1.
What is the InChIKey of (7S)-7-(piperidine-1-carbonyl)azepan-2-one?
The InChIKey is XDMCLMJJEKKVIR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-7-3-2-6-10(13-11)12(16)14-8-4-1-5-9-14/h10H,1-9H2,(H,13,15)/t10-/m0/s1.
What are the key properties of (7S)-7-(piperidine-1-carbonyl)azepan-2-one?
(7S)-7-(piperidine-1-carbonyl)azepan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(piperidine-1-carbonyl)azepan-2-one is sourced from PubChem (CID 164630527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).