N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide

C23H32N4O2 — CID 55980139

IUPACN-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3C)c2C)CC1
InChIInChI=1S/C23H32N4O2/c1-5-6-13-25(4)22(28)19-11-14-26(15-12-19)23(29)20-16-24-27(18(20)3)21-10-8-7-9-17(21)2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyCKORCXHNBDSHNE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.60
Rot. Bonds6

About N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide

N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 55980139) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID55980139
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3C)c2C)CC1
InChIInChI=1S/C23H32N4O2/c1-5-6-13-25(4)22(28)19-11-14-26(15-12-19)23(29)20-16-24-27(18(20)3)21-10-8-7-9-17(21)2/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyCKORCXHNBDSHNE-UHFFFAOYSA-N
XLogP3.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892793
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374
[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 52666458
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645720
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-butyl-1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55949770
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide (CID 55980139) is N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3C)c2C)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is CKORCXHNBDSHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-6-13-25(4)22(28)19-11-14-26(15-12-19)23(29)20-16-24-27(18(20)3)21-10-8-7-9-17(21)2/h7-10,16,19H,5-6,11-15H2,1-4H3.
What are the key properties of N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55980139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).