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

C19H26ClN3O2 — CID 1444563

IUPAC1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c20-15-9-3-4-10-16(15)21-18(25)22-19(11-5-1-6-12-19)17(24)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-14H2,(H2,21,22,25)
InChIKeyRYQSONBSWUQHJI-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.18
Rot. Bonds3

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

1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea (PubChem CID 1444563) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea
PubChem CID1444563
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c20-15-9-3-4-10-16(15)21-18(25)22-19(11-5-1-6-12-19)17(24)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-14H2,(H2,21,22,25)
InChIKeyRYQSONBSWUQHJI-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea (CID 1444563) is 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea is O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCCC2)CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea?
The InChIKey is RYQSONBSWUQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-15-9-3-4-10-16(15)21-18(25)22-19(11-5-1-6-12-19)17(24)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-14H2,(H2,21,22,25).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea?
1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea has a molecular weight of 363.89 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-(piperidine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 1444563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).