N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

C20H28N4O2 — CID 72857286

IUPACN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeyFQKLYQVPHBACAA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.51
Rot. Bonds5

About N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (PubChem CID 72857286) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
PubChem CID72857286
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeyFQKLYQVPHBACAA-UHFFFAOYSA-N
XLogP3.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
CID 134696339
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633
N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 72879127
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009
(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 72880648
3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139004459
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (CID 72857286) is N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is CCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The InChIKey is FQKLYQVPHBACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 72857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).