1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide

C25H27N3O2 — CID 55397881

IUPAC1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-8-9-19(2)28(18)23-12-10-21(11-13-23)25(30)27-16-14-20(15-17-27)24(29)26-22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,26,29)
InChIKeyZHNVBXHXDBERSV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.59
Rot. Bonds4

About 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide

1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55397881) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55397881
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-8-9-19(2)28(18)23-12-10-21(11-13-23)25(30)27-16-14-20(15-17-27)24(29)26-22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,26,29)
InChIKeyZHNVBXHXDBERSV-UHFFFAOYSA-N
XLogP4.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-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

1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide (CID 55397881) is 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide is Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZHNVBXHXDBERSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-8-9-19(2)28(18)23-12-10-21(11-13-23)25(30)27-16-14-20(15-17-27)24(29)26-22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,26,29).
What are the key properties of 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55397881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).