(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C16H21ClN4O — CID 119739823

IUPAC(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCCN1
InChIInChI=1S/C16H20N4O.ClH/c21-16(14-7-3-4-9-17-14)18-12-13-6-1-2-8-15(13)20-11-5-10-19-20;/h1-2,5-6,8,10-11,14,17H,3-4,7,9,12H2,(H,18,21);1H/t14-;/m0./s1
InChIKeyWSJQQGIREVDBSA-UQKRIMTDSA-N
MW320.82 g/mol
LogP2.05
Rot. Bonds4

About (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119739823) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119739823
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCCN1
InChIInChI=1S/C16H20N4O.ClH/c21-16(14-7-3-4-9-17-14)18-12-13-6-1-2-8-15(13)20-11-5-10-19-20;/h1-2,5-6,8,10-11,14,17H,3-4,7,9,12H2,(H,18,21);1H/t14-;/m0./s1
InChIKeyWSJQQGIREVDBSA-UQKRIMTDSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134080673
(9R)-N-[(2-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125168088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119739823) is (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is WSJQQGIREVDBSA-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c21-16(14-7-3-4-9-17-14)18-12-13-6-1-2-8-15(13)20-11-5-10-19-20;/h1-2,5-6,8,10-11,14,17H,3-4,7,9,12H2,(H,18,21);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119739823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).