1-benzyl-3-(1-piperidin-3-ylethyl)urea

C15H23N3O — CID 107653393

IUPAC1-benzyl-3-(1-piperidin-3-ylethyl)urea
SMILESCC(NC(=O)NCc1ccccc1)C1CCCNC1
InChIInChI=1S/C15H23N3O/c1-12(14-8-5-9-16-11-14)18-15(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19)
InChIKeyOMQHOSYQWFTCHF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds4

About 1-benzyl-3-(1-piperidin-3-ylethyl)urea

1-benzyl-3-(1-piperidin-3-ylethyl)urea (PubChem CID 107653393) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-benzyl-3-(1-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-piperidin-3-ylethyl)urea
PubChem CID107653393
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-benzyl-3-(1-piperidin-3-ylethyl)urea
SMILESCC(NC(=O)NCc1ccccc1)C1CCCNC1
InChIInChI=1S/C15H23N3O/c1-12(14-8-5-9-16-11-14)18-15(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19)
InChIKeyOMQHOSYQWFTCHF-UHFFFAOYSA-N
XLogP1.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(1-piperidin-3-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

Related Compounds

N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
1-phenyl-N-(1-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 62880723
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-piperidin-3-ylethyl)urea?
The IUPAC name of 1-benzyl-3-(1-piperidin-3-ylethyl)urea (CID 107653393) is 1-benzyl-3-(1-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(1-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-benzyl-3-(1-piperidin-3-ylethyl)urea is CC(NC(=O)NCc1ccccc1)C1CCCNC1.
What is the InChIKey of 1-benzyl-3-(1-piperidin-3-ylethyl)urea?
The InChIKey is OMQHOSYQWFTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(14-8-5-9-16-11-14)18-15(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(1-piperidin-3-ylethyl)urea?
1-benzyl-3-(1-piperidin-3-ylethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-piperidin-3-ylethyl)urea is sourced from PubChem (CID 107653393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).