1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea

C19H27N3O2 — CID 3161851

IUPAC1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(22-13-7-2-8-14-22)16-11-5-6-12-17(16)21-19(24)20-15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14H2,(H2,20,21,24)
InChIKeyLIBKCWSTNJMFGU-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea

1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 3161851) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea
PubChem CID3161851
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(22-13-7-2-8-14-22)16-11-5-6-12-17(16)21-19(24)20-15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14H2,(H2,20,21,24)
InChIKeyLIBKCWSTNJMFGU-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea (CID 3161851) is 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea is O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is LIBKCWSTNJMFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(22-13-7-2-8-14-22)16-11-5-6-12-17(16)21-19(24)20-15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14H2,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea?
1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 329.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 3161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).