1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea

C17H27N3O — CID 6489649

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-10-18-17(21)19-13-15-8-11-20(12-9-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H2,18,19,21)
InChIKeyGFOKUXZCXMBHRN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds6

About 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea

1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea (PubChem CID 6489649) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea
PubChem CID6489649
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-10-18-17(21)19-13-15-8-11-20(12-9-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H2,18,19,21)
InChIKeyGFOKUXZCXMBHRN-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea 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-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea (CID 6489649) is 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea is CCCNC(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea?
The InChIKey is GFOKUXZCXMBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-10-18-17(21)19-13-15-8-11-20(12-9-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea?
1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea has a molecular weight of 289.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-3-propylurea is sourced from PubChem (CID 6489649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).