1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea

C16H24ClN3O — CID 6621466

IUPAC1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCC(C)N1CCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O/c1-12-4-3-5-13(2)20(12)11-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyNRQJUWUODUFPCL-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea (PubChem CID 6621466) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
PubChem CID6621466
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCC(C)N1CCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O/c1-12-4-3-5-13(2)20(12)11-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyNRQJUWUODUFPCL-UHFFFAOYSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea (CID 6621466) is 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea is CC1CCCC(C)N1CCNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The InChIKey is NRQJUWUODUFPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-4-3-5-13(2)20(12)11-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 6621466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).