(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

C13H19N3O — CID 81407106

IUPAC(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(12-6-2-3-8-15-12)16-13(17)11-5-4-7-14-9-11/h2-3,6,8,10-11,14H,4-5,7,9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyZCRWUSXLHPCHLJ-MNOVXSKESA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds3

About (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (PubChem CID 81407106) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
PubChem CID81407106
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(12-6-2-3-8-15-12)16-13(17)11-5-4-7-14-9-11/h2-3,6,8,10-11,14H,4-5,7,9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyZCRWUSXLHPCHLJ-MNOVXSKESA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1R)-1-pyridin-2-ylethyl]morpholine-2-carboxamide
CID 81407111
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (CID 81407106) is (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@H]1CCCNC1)c1ccccn1.
What is the InChIKey of (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is ZCRWUSXLHPCHLJ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(12-6-2-3-8-15-12)16-13(17)11-5-4-7-14-9-11/h2-3,6,8,10-11,14H,4-5,7,9H2,1H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81407106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).