N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C25H34N4O2 — CID 78837937

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)24(31)28-15-13-19(14-16-28)23(30)26-22-17-21(18-9-7-8-10-18)27-29(22)20-11-5-4-6-12-20/h4-6,11-12,17-19H,7-10,13-16H2,1-3H3,(H,26,30)
InChIKeyMTFMIJPFKSLBMH-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.75
Rot. Bonds4

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 78837937) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID78837937
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)24(31)28-15-13-19(14-16-28)23(30)26-22-17-21(18-9-7-8-10-18)27-29(22)20-11-5-4-6-12-20/h4-6,11-12,17-19H,7-10,13-16H2,1-3H3,(H,26,30)
InChIKeyMTFMIJPFKSLBMH-UHFFFAOYSA-N
XLogP4.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 78830494
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 78837937) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is MTFMIJPFKSLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-25(2,3)24(31)28-15-13-19(14-16-28)23(30)26-22-17-21(18-9-7-8-10-18)27-29(22)20-11-5-4-6-12-20/h4-6,11-12,17-19H,7-10,13-16H2,1-3H3,(H,26,30).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 78837937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).