1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea

C16H25N3O — CID 6468665

IUPAC1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCN2CCCCC2)cc1C
InChIInChI=1S/C16H25N3O/c1-13-6-7-15(12-14(13)2)18-16(20)17-8-11-19-9-4-3-5-10-19/h6-7,12H,3-5,8-11H2,1-2H3,(H2,17,18,20)
InChIKeyLGMTZDRXBOSIOC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.91
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6468665) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6468665
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCN2CCCCC2)cc1C
InChIInChI=1S/C16H25N3O/c1-13-6-7-15(12-14(13)2)18-16(20)17-8-11-19-9-4-3-5-10-19/h6-7,12H,3-5,8-11H2,1-2H3,(H2,17,18,20)
InChIKeyLGMTZDRXBOSIOC-UHFFFAOYSA-N
XLogP2.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6468665) is 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea is Cc1ccc(NC(=O)NCCN2CCCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is LGMTZDRXBOSIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-6-7-15(12-14(13)2)18-16(20)17-8-11-19-9-4-3-5-10-19/h6-7,12H,3-5,8-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6468665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).