N-benzylpiperidine-2-carboxamide;hydrochloride

C13H19ClN2O — CID 53410820

IUPACN-benzylpiperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1CCCCN1
InChIInChI=1S/C13H18N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16);1H
InChIKeyVZONKRVCCUTRBE-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.87
Rot. Bonds3

About N-benzylpiperidine-2-carboxamide;hydrochloride

N-benzylpiperidine-2-carboxamide;hydrochloride (PubChem CID 53410820) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-benzylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzylpiperidine-2-carboxamide;hydrochloride
PubChem CID53410820
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-benzylpiperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1CCCCN1
InChIInChI=1S/C13H18N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16);1H
InChIKeyVZONKRVCCUTRBE-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
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N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
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4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344

Frequently Asked Questions

What is the IUPAC name of N-benzylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-benzylpiperidine-2-carboxamide;hydrochloride (CID 53410820) is N-benzylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzylpiperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)C1CCCCN1.
What is the InChIKey of N-benzylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is VZONKRVCCUTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16);1H.
What are the key properties of N-benzylpiperidine-2-carboxamide;hydrochloride?
N-benzylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 53410820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).