(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide

C13H19N3O — CID 103813258

IUPAC(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(11-6-2-4-8-14-11)16-13(17)12-7-3-5-9-15-12/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,17)/t10?,12-/m0/s1
InChIKeyINDOCURSRHOVTH-KFJBMODSSA-N
MW233.31 g/mol
LogP1.40
Rot. Bonds3

About (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide

(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide (PubChem CID 103813258) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
PubChem CID103813258
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(11-6-2-4-8-14-11)16-13(17)12-7-3-5-9-15-12/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,17)/t10?,12-/m0/s1
InChIKeyINDOCURSRHOVTH-KFJBMODSSA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914789
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914790
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide (CID 103813258) is (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCCN1)c1ccccn1.
What is the InChIKey of (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The InChIKey is INDOCURSRHOVTH-KFJBMODSSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-6-2-4-8-14-11)16-13(17)12-7-3-5-9-15-12/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,17)/t10?,12-/m0/s1.
What are the key properties of (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103813258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).