N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide

C25H26FN3O2 — CID 18268324

IUPACN-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-17-16-23(18(2)29(17)22-10-8-20(26)9-11-22)25(31)28-14-12-21(13-15-28)27-24(30)19-6-4-3-5-7-19/h3-11,16,21H,12-15H2,1-2H3,(H,27,30)
InChIKeyZNPQWKPKTVSPDW-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.27
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide

N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 18268324) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID18268324
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-17-16-23(18(2)29(17)22-10-8-20(26)9-11-22)25(31)28-14-12-21(13-15-28)27-24(30)19-6-4-3-5-7-19/h3-11,16,21H,12-15H2,1-2H3,(H,27,30)
InChIKeyZNPQWKPKTVSPDW-UHFFFAOYSA-N
XLogP4.27
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide 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-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
N-[1-[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 46521100
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541051
N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
CID 25333417
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 33017158
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide (CID 18268324) is N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide is Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is ZNPQWKPKTVSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17-16-23(18(2)29(17)22-10-8-20(26)9-11-22)25(31)28-14-12-21(13-15-28)27-24(30)19-6-4-3-5-7-19/h3-11,16,21H,12-15H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide?
N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18268324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).