N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride

C19H24ClN3O2 — CID 119303149

IUPACN-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCN1
InChIInChI=1S/C19H23N3O2.ClH/c23-18-6-2-4-12-22(18)14-16-9-7-15(8-10-16)13-21-19(24)17-5-1-3-11-20-17;/h2,4,6-10,12,17,20H,1,3,5,11,13-14H2,(H,21,24);1H
InChIKeyVKFMURZZJBEJCO-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.08
Rot. Bonds5

About N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride

N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119303149) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119303149
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCN1
InChIInChI=1S/C19H23N3O2.ClH/c23-18-6-2-4-12-22(18)14-16-9-7-15(8-10-16)13-21-19(24)17-5-1-3-11-20-17;/h2,4,6-10,12,17,20H,1,3,5,11,13-14H2,(H,21,24);1H
InChIKeyVKFMURZZJBEJCO-UHFFFAOYSA-N
XLogP2.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119303151
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119303149) is N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCN1.
What is the InChIKey of N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is VKFMURZZJBEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c23-18-6-2-4-12-22(18)14-16-9-7-15(8-10-16)13-21-19(24)17-5-1-3-11-20-17;/h2,4,6-10,12,17,20H,1,3,5,11,13-14H2,(H,21,24);1H.
What are the key properties of N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119303149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).