1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea

C18H18ClN3O2 — CID 153326080

IUPAC1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H18ClN3O2/c19-13-6-8-14(9-7-13)20-18(24)21-15-10-11-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyPERYGYHTSUTPDX-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea

1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea (PubChem CID 153326080) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea
PubChem CID153326080
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H18ClN3O2/c19-13-6-8-14(9-7-13)20-18(24)21-15-10-11-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyPERYGYHTSUTPDX-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215951
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209063
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea (CID 153326080) is 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea?
The InChIKey is PERYGYHTSUTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-13-6-8-14(9-7-13)20-18(24)21-15-10-11-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea?
1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea has a molecular weight of 343.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea is sourced from PubChem (CID 153326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).