1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea

C21H31N3O2 — CID 46588795

IUPAC1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c25-20(11-14-22-21(26)23-19-9-5-2-6-10-19)24-15-12-18(13-16-24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,22,23,26)
InChIKeyXMMYQSMLIAQTGO-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea

1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea (PubChem CID 46588795) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
PubChem CID46588795
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c25-20(11-14-22-21(26)23-19-9-5-2-6-10-19)24-15-12-18(13-16-24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,22,23,26)
InChIKeyXMMYQSMLIAQTGO-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-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-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
CID 26434990
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
1-cyclohexyl-3-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]urea
CID 16621685
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 71941305
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea (CID 46588795) is 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea is O=C(NCCC(=O)N1CCC(c2ccccc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea?
The InChIKey is XMMYQSMLIAQTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(11-14-22-21(26)23-19-9-5-2-6-10-19)24-15-12-18(13-16-24)17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea?
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea has a molecular weight of 357.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 46588795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).