(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

C13H20ClN3O — CID 119998811

IUPAC(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cccnc1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(11-5-4-7-14-9-11)16-13(17)12-6-2-3-8-15-12;/h4-5,7,9-10,12,15H,2-3,6,8H2,1H3,(H,16,17);1H/t10?,12-;/m1./s1
InChIKeyVACZLAVOIAPBCS-ULIKACSMSA-N
MW269.78 g/mol
LogP1.82
Rot. Bonds3

About (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119998811) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119998811
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cccnc1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(11-5-4-7-14-9-11)16-13(17)12-6-2-3-8-15-12;/h4-5,7,9-10,12,15H,2-3,6,8H2,1H3,(H,16,17);1H/t10?,12-;/m1./s1
InChIKeyVACZLAVOIAPBCS-ULIKACSMSA-N
XLogP1.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 58739173
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (CID 119998811) is (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is CC(NC(=O)[C@H]1CCCCN1)c1cccnc1.Cl.
What is the InChIKey of (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is VACZLAVOIAPBCS-ULIKACSMSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-10(11-5-4-7-14-9-11)16-13(17)12-6-2-3-8-15-12;/h4-5,7,9-10,12,15H,2-3,6,8H2,1H3,(H,16,17);1H/t10?,12-;/m1./s1.
What are the key properties of (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119998811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).