(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide

C15H19N3O2 — CID 126443586

IUPAC(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2cnc3c(c2)CCC3)CN1
InChIInChI=1S/C15H19N3O2/c19-14-5-4-12(9-17-14)15(20)18-8-10-6-11-2-1-3-13(11)16-7-10/h6-7,12H,1-5,8-9H2,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyUCYAEILELYPKJX-LBPRGKRZSA-N
MW273.34 g/mol
LogP0.71
Rot. Bonds3

About (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide

(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 126443586) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID126443586
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2cnc3c(c2)CCC3)CN1
InChIInChI=1S/C15H19N3O2/c19-14-5-4-12(9-17-14)15(20)18-8-10-6-11-2-1-3-13(11)16-7-10/h6-7,12H,1-5,8-9H2,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyUCYAEILELYPKJX-LBPRGKRZSA-N
XLogP0.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 119075033
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 94624692
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 126443586) is (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide is O=C1CC[C@H](C(=O)NCc2cnc3c(c2)CCC3)CN1.
What is the InChIKey of (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UCYAEILELYPKJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-5-4-12(9-17-14)15(20)18-8-10-6-11-2-1-3-13(11)16-7-10/h6-7,12H,1-5,8-9H2,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 126443586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).