1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea

C14H20ClN3O — CID 63628893

IUPAC1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)18-14(19)17-9-7-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H2,17,18,19)
InChIKeyKNIXBQSXVPZLNG-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea

1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea (PubChem CID 63628893) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
PubChem CID63628893
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)18-14(19)17-9-7-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H2,17,18,19)
InChIKeyKNIXBQSXVPZLNG-UHFFFAOYSA-N
XLogP2.85
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-3-(2-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

1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea (CID 63628893) is 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea is O=C(NCCC1CCCNC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea?
The InChIKey is KNIXBQSXVPZLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)18-14(19)17-9-7-11-4-3-8-16-10-11/h1-2,5-6,11,16H,3-4,7-10H2,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea?
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea has a molecular weight of 281.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea is sourced from PubChem (CID 63628893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).