1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

C26H29FN4O2 — CID 55724551

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)cc2)n1
InChIInChI=1S/C26H29FN4O2/c1-17-4-5-20(15-24(17)27)16-28-25(32)21-10-12-30(13-11-21)26(33)22-6-8-23(9-7-22)31-19(3)14-18(2)29-31/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,28,32)
InChIKeyBRZBSSVDMOBSMT-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.11
Rot. Bonds5

About 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55724551) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID55724551
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)cc2)n1
InChIInChI=1S/C26H29FN4O2/c1-17-4-5-20(15-24(17)27)16-28-25(32)21-10-12-30(13-11-21)26(33)22-6-8-23(9-7-22)31-19(3)14-18(2)29-31/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,28,32)
InChIKeyBRZBSSVDMOBSMT-UHFFFAOYSA-N
XLogP4.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55963310
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-[(3-fluoro-4-methylphenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78878259
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 55964211
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 154842062
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55724707
1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55964854
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (CID 55724551) is 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)cc2)n1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BRZBSSVDMOBSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-17-4-5-20(15-24(17)27)16-28-25(32)21-10-12-30(13-11-21)26(33)22-6-8-23(9-7-22)31-19(3)14-18(2)29-31/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,28,32).
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55724551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).