1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea

C15H22ClN3O — CID 47103290

IUPAC1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-2-8-17-15(20)18-13-11-12(16)6-7-14(13)19-9-4-3-5-10-19/h6-7,11H,2-5,8-10H2,1H3,(H2,17,18,20)
InChIKeyORTJSRCFEOCPOC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.86
Rot. Bonds4

About 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea

1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea (PubChem CID 47103290) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
PubChem CID47103290
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-2-8-17-15(20)18-13-11-12(16)6-7-14(13)19-9-4-3-5-10-19/h6-7,11H,2-5,8-10H2,1H3,(H2,17,18,20)
InChIKeyORTJSRCFEOCPOC-UHFFFAOYSA-N
XLogP3.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-piperidin-1-ylphenyl)-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

Related Compounds

1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
1-(5-chloro-2-piperidin-1-ylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 112824886
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
CID 50792137
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925885
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 17459535
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
CID 26209054

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea?
The IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea (CID 47103290) is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea?
The InChIKey is ORTJSRCFEOCPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-8-17-15(20)18-13-11-12(16)6-7-14(13)19-9-4-3-5-10-19/h6-7,11H,2-5,8-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea?
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea has a molecular weight of 295.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea is sourced from PubChem (CID 47103290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).