(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C24H29ClN4O — CID 120619392

IUPAC(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-18-14-21(12-13-25-18)24(29)26-15-22-17-28(16-19-8-4-2-5-9-19)27-23(22)20-10-6-3-7-11-20;/h2-11,17-18,21,25H,12-16H2,1H3,(H,26,29);1H/t18-,21-;/m0./s1
InChIKeyZERWAAKUUZXOAP-ZXRBMNSTSA-N
MW424.98 g/mol
LogP4.02
Rot. Bonds6

About (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120619392) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120619392
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-18-14-21(12-13-25-18)24(29)26-15-22-17-28(16-19-8-4-2-5-9-19)27-23(22)20-10-6-3-7-11-20;/h2-11,17-18,21,25H,12-16H2,1H3,(H,26,29);1H/t18-,21-;/m0./s1
InChIKeyZERWAAKUUZXOAP-ZXRBMNSTSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651831

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120619392) is (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZERWAAKUUZXOAP-ZXRBMNSTSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-18-14-21(12-13-25-18)24(29)26-15-22-17-28(16-19-8-4-2-5-9-19)27-23(22)20-10-6-3-7-11-20;/h2-11,17-18,21,25H,12-16H2,1H3,(H,26,29);1H/t18-,21-;/m0./s1.
What are the key properties of (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).