1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C17H27N3O — CID 51244180

IUPAC1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1cccc(NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-14-7-5-9-16(13-14)19-17(21)18-10-6-12-20-11-4-3-8-15(20)2/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyOAMCUAQMWTUWEW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 51244180) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID51244180
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1cccc(NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-14-7-5-9-16(13-14)19-17(21)18-10-6-12-20-11-4-3-8-15(20)2/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyOAMCUAQMWTUWEW-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea 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-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
5-methyl-N-[3-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871048
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide
CID 5183141
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111370983

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 51244180) is 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is Cc1cccc(NC(=O)NCCCN2CCCCC2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is OAMCUAQMWTUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-7-5-9-16(13-14)19-17(21)18-10-6-12-20-11-4-3-8-15(20)2/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 51244180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).