2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride

C14H19ClN2O3 — CID 141153297

IUPAC2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
SMILESCl.NC(=O)c1ccc(CC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3.ClH/c15-13(17)11-6-4-10(5-7-11)9-12-3-1-2-8-16(12)14(18)19;/h4-7,12H,1-3,8-9H2,(H2,15,17)(H,18,19);1H
InChIKeyHBSQMPIZVBYJBC-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.28
Rot. Bonds3

About 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride

2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride (PubChem CID 141153297) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
PubChem CID141153297
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
SMILESCl.NC(=O)c1ccc(CC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3.ClH/c15-13(17)11-6-4-10(5-7-11)9-12-3-1-2-8-16(12)14(18)19;/h4-7,12H,1-3,8-9H2,(H2,15,17)(H,18,19);1H
InChIKeyHBSQMPIZVBYJBC-UHFFFAOYSA-N
XLogP2.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[(2S)-2-benzylpiperidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 95637474
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
4-(cyclobutylmethyl)benzamide
CID 174975666
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
methyl 2-benzylazepane-1-carboxylate
CID 102314657
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride (CID 141153297) is 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride is Cl.NC(=O)c1ccc(CC2CCCCN2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride?
The InChIKey is HBSQMPIZVBYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c15-13(17)11-6-4-10(5-7-11)9-12-3-1-2-8-16(12)14(18)19;/h4-7,12H,1-3,8-9H2,(H2,15,17)(H,18,19);1H.
What are the key properties of 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride?
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 141153297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).