1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone

C23H32FN3O — CID 56569998

IUPAC1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCc1ccc(-n2c(C)cc(C(=O)CN3CCC(NC(C)C)CC3)c2C)cc1F
InChIInChI=1S/C23H32FN3O/c1-15(2)25-19-8-10-26(11-9-19)14-23(28)21-12-17(4)27(18(21)5)20-7-6-16(3)22(24)13-20/h6-7,12-13,15,19,25H,8-11,14H2,1-5H3
InChIKeyWAZHDZVSBBOZJB-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.19
Rot. Bonds6

About 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone

1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 56569998) has the molecular formula C23H32FN3O and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID56569998
Molecular FormulaC23H32FN3O
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCc1ccc(-n2c(C)cc(C(=O)CN3CCC(NC(C)C)CC3)c2C)cc1F
InChIInChI=1S/C23H32FN3O/c1-15(2)25-19-8-10-26(11-9-19)14-23(28)21-12-17(4)27(18(21)5)20-7-6-16(3)22(24)13-20/h6-7,12-13,15,19,25H,8-11,14H2,1-5H3
InChIKeyWAZHDZVSBBOZJB-UHFFFAOYSA-N
XLogP4.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone 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-[1-(4-chloro-3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
CID 122431039
N-[1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55849913
N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
CID 56569898
2-(azepan-1-yl)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone;oxalic acid
CID 45042535
2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 9276213
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 110659500
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 5067339
methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]pyrrol-1-yl]benzoate
CID 5239608
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
methyl 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 26299016
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 31931671
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 45017241

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone (CID 56569998) is 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone is Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(NC(C)C)CC3)c2C)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is WAZHDZVSBBOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O/c1-15(2)25-19-8-10-26(11-9-19)14-23(28)21-12-17(4)27(18(21)5)20-7-6-16(3)22(24)13-20/h6-7,12-13,15,19,25H,8-11,14H2,1-5H3.
What are the key properties of 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 385.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 56569998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).