3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide

C24H35N3O — CID 5183141

IUPAC3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide
SMILESCc1cccc(Cn2c(C)cc(C)c2C(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C24H35N3O/c1-18-9-7-11-22(15-18)17-27-21(4)16-19(2)23(27)24(28)25-12-8-14-26-13-6-5-10-20(26)3/h7,9,11,15-16,20H,5-6,8,10,12-14,17H2,1-4H3,(H,25,28)
InChIKeyYEBRHQFGTYLOAS-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.46
Rot. Bonds7

About 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide

3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide (PubChem CID 5183141) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide
PubChem CID5183141
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide
SMILESCc1cccc(Cn2c(C)cc(C)c2C(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C24H35N3O/c1-18-9-7-11-22(15-18)17-27-21(4)16-19(2)23(27)24(28)25-12-8-14-26-13-6-5-10-20(26)3/h7,9,11,15-16,20H,5-6,8,10,12-14,17H2,1-4H3,(H,25,28)
InChIKeyYEBRHQFGTYLOAS-UHFFFAOYSA-N
XLogP4.46
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-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

3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-2-carboxamide
CID 7202274
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 4676190
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 104851771
4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92895110
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide (CID 5183141) is 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide is Cc1cccc(Cn2c(C)cc(C)c2C(=O)NCCCN2CCCCC2C)c1.
What is the InChIKey of 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is YEBRHQFGTYLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-18-9-7-11-22(15-18)17-27-21(4)16-19(2)23(27)24(28)25-12-8-14-26-13-6-5-10-20(26)3/h7,9,11,15-16,20H,5-6,8,10,12-14,17H2,1-4H3,(H,25,28).
What are the key properties of 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide?
3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 5183141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).