1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea

C13H18ClN3O — CID 128753184

IUPAC1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
SMILESCc1ccc(Cl)c(NC(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H18ClN3O/c1-9-4-5-11(14)12(7-9)17-13(18)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyUMIFJFTVERONPI-JTQLQIEISA-N
MW267.76 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea

1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea (PubChem CID 128753184) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
PubChem CID128753184
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
SMILESCc1ccc(Cl)c(NC(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H18ClN3O/c1-9-4-5-11(14)12(7-9)17-13(18)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyUMIFJFTVERONPI-JTQLQIEISA-N
XLogP2.52
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]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-chloro-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylurea
CID 165430468
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3S)-pyrrolidin-3-yl]urea;hydrochloride
CID 165430475
1-(azepan-3-yl)-3-(2-methylphenyl)urea
CID 117235751
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea (CID 128753184) is 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea is Cc1ccc(Cl)c(NC(=O)N[C@H]2CCCNC2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea?
The InChIKey is UMIFJFTVERONPI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-4-5-11(14)12(7-9)17-13(18)16-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,16,17,18)/t10-/m0/s1.
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea?
1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 267.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 128753184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).