N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C21H28N4O2 — CID 52529847

IUPACN-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C21H28N4O2/c1-14(2)15(3)22-20(26)17-9-11-25(12-10-17)21(27)19-13-18(23-24-19)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyWSKNAFDMIIZBCO-OAHLLOKOSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 52529847) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID52529847
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C21H28N4O2/c1-14(2)15(3)22-20(26)17-9-11-25(12-10-17)21(27)19-13-18(23-24-19)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyWSKNAFDMIIZBCO-OAHLLOKOSA-N
XLogP3.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375381
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
1-[4-[(4S,5S)-5-hydroxy-1-(3-phenyl-1H-pyrazole-5-carbonyl)azepan-4-yl]piperazin-1-yl]ethanone
CID 110164430
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 52529847) is N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is WSKNAFDMIIZBCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)15(3)22-20(26)17-9-11-25(12-10-17)21(27)19-13-18(23-24-19)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,22,26)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 52529847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).