[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

C19H24N2O — CID 764677

IUPAC[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-14-10-12-20(13-11-14)19(22)17-6-8-18(9-7-17)21-15(2)4-5-16(21)3/h4-9,14H,10-13H2,1-3H3
InChIKeyGITJXPAWMDCFHF-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.97
Rot. Bonds2

About [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 764677) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID764677
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-14-10-12-20(13-11-14)19(22)17-6-8-18(9-7-17)21-15(2)4-5-16(21)3/h4-9,14H,10-13H2,1-3H3
InChIKeyGITJXPAWMDCFHF-UHFFFAOYSA-N
XLogP3.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone 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

3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone
CID 4871560
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
(2-cyclopentyl-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 11854359
(2-Phenyl-quinolin-4-yl)-pyrrolidin-1-yl-methanone
CID 757669
N-(4-Acetylphenyl)-2,5-dimethylpyrrole
CID 522805
N-(3-Ethoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[B]pyrrol-1-YL}benzamide
CID 16017990
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
[5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl](morpholino)methanone
CID 2742315
1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide
CID 4784849
(E)-3-(dimethylamino)-1-[4-(1H-pyrrol-1-yl)phenyl]-2-propen-1-one
CID 5928614
4-(2-oxo-1-pyrrolidinyl)-N'-[1-(4-pyridinyl)ethylidene]benzohydrazide
CID 9585523

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 764677) is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GITJXPAWMDCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-10-12-20(13-11-14)19(22)17-6-8-18(9-7-17)21-15(2)4-5-16(21)3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 764677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).