1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

C16H24ClN3O — CID 24528836

IUPAC1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(2)20-8-6-13(7-9-20)18-16(21)19-14-5-4-12(3)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,18,19,21)
InChIKeyVKWVVYHVVWZYLD-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.64
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 24528836) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID24528836
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(2)20-8-6-13(7-9-20)18-16(21)19-14-5-4-12(3)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,18,19,21)
InChIKeyVKWVVYHVVWZYLD-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)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-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
1-(3-chloro-4-methylsulfanylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 71864855
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 24528836) is 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is VKWVVYHVVWZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)20-8-6-13(7-9-20)18-16(21)19-14-5-4-12(3)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 309.84 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 24528836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).