N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119287429

IUPACN-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyUKSVQSFOGSFZJT-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.97
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119287429) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119287429
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyUKSVQSFOGSFZJT-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119287429) is N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(CNC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is UKSVQSFOGSFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-13(18)11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2,(H2,15,18)(H,17,19);1H.
What are the key properties of N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119287429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).