1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

C19H20ClN3O2 — CID 1307814

IUPAC1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-5-4-6-17(13-15)22-19(25)21-16-9-7-14(8-10-16)18(24)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H2,21,22,25)
InChIKeyQHFWKJCADYEQIV-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.61
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 1307814) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
PubChem CID1307814
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-5-4-6-17(13-15)22-19(25)21-16-9-7-14(8-10-16)18(24)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H2,21,22,25)
InChIKeyQHFWKJCADYEQIV-UHFFFAOYSA-N
XLogP4.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (CID 1307814) is 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is QHFWKJCADYEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-5-4-6-17(13-15)22-19(25)21-16-9-7-14(8-10-16)18(24)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H2,21,22,25).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 357.84 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 1307814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).