1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C20H24FN3O2 — CID 136534473

IUPAC1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccn(C)c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O2/c1-14-7-10-23(2)18(14)20(26)24-11-8-16(9-12-24)19(25)22-13-15-3-5-17(21)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyWAWCVPYCMWOLOQ-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.64
Rot. Bonds4

About 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 136534473) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID136534473
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccn(C)c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O2/c1-14-7-10-23(2)18(14)20(26)24-11-8-16(9-12-24)19(25)22-13-15-3-5-17(21)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyWAWCVPYCMWOLOQ-UHFFFAOYSA-N
XLogP2.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78902093
N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
CID 87020602
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 136534473) is 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1ccn(C)c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WAWCVPYCMWOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-7-10-23(2)18(14)20(26)24-11-8-16(9-12-24)19(25)22-13-15-3-5-17(21)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136534473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).