3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea

C20H24ClN3O — CID 142001111

IUPAC3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
SMILESCN(C(=O)N[C@H]1CC[C@H](Cc2ccccc2)CN1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-24(18-9-5-8-17(21)13-18)20(25)23-19-11-10-16(14-22-19)12-15-6-3-2-4-7-15/h2-9,13,16,19,22H,10-12,14H2,1H3,(H,23,25)/t16-,19+/m1/s1
InChIKeyOINJQRMMYZTHEN-APWZRJJASA-N
MW357.89 g/mol
LogP4.05
Rot. Bonds4

About 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea

3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea (PubChem CID 142001111) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
PubChem CID142001111
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
SMILESCN(C(=O)N[C@H]1CC[C@H](Cc2ccccc2)CN1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-24(18-9-5-8-17(21)13-18)20(25)23-19-11-10-16(14-22-19)12-15-6-3-2-4-7-15/h2-9,13,16,19,22H,10-12,14H2,1H3,(H,23,25)/t16-,19+/m1/s1
InChIKeyOINJQRMMYZTHEN-APWZRJJASA-N
XLogP4.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea 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-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
CID 70195927
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-cyanophenyl)-1-methylurea
CID 154450797
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 155153060
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 155153161
1-(3-cyanophenyl)-3-[(2R,4R)-4-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
CID 70194953
1-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
CID 3008344
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(3-chlorophenyl)-1-phenylurea;hydrochloride
CID 22676695

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea?
The IUPAC name of 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea (CID 142001111) is 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea.
What is the SMILES notation for 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea?
The canonical SMILES for 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea is CN(C(=O)N[C@H]1CC[C@H](Cc2ccccc2)CN1)c1cccc(Cl)c1.
What is the InChIKey of 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea?
The InChIKey is OINJQRMMYZTHEN-APWZRJJASA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-24(18-9-5-8-17(21)13-18)20(25)23-19-11-10-16(14-22-19)12-15-6-3-2-4-7-15/h2-9,13,16,19,22H,10-12,14H2,1H3,(H,23,25)/t16-,19+/m1/s1.
What are the key properties of 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea?
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea has a molecular weight of 357.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea is sourced from PubChem (CID 142001111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).