(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide

C23H30N4O2 — CID 25379201

IUPAC(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H30N4O2/c28-22-12-11-20(17-26(22)16-18-7-2-1-3-8-18)23(29)24-15-19-9-4-5-10-21(19)27-14-6-13-25-27/h4-6,9-10,13-14,18,20H,1-3,7-8,11-12,15-17H2,(H,24,29)/t20-/m0/s1
InChIKeyLUPSJNMNPGEPDA-FQEVSTJZSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 25379201) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID25379201
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H30N4O2/c28-22-12-11-20(17-26(22)16-18-7-2-1-3-8-18)23(29)24-15-19-9-4-5-10-21(19)27-14-6-13-25-27/h4-6,9-10,13-14,18,20H,1-3,7-8,11-12,15-17H2,(H,24,29)/t20-/m0/s1
InChIKeyLUPSJNMNPGEPDA-FQEVSTJZSA-N
XLogP3.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
(9R)-N-[(2-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125168088
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 45200195
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
1-(2-methoxyethyl)-6-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 56700684

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 25379201) is (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1-n1cccn1)[C@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LUPSJNMNPGEPDA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22-12-11-20(17-26(22)16-18-7-2-1-3-8-18)23(29)24-15-19-9-4-5-10-21(19)27-14-6-13-25-27/h4-6,9-10,13-14,18,20H,1-3,7-8,11-12,15-17H2,(H,24,29)/t20-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 25379201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).