1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea

C24H32ClN3O — CID 143531550

IUPAC1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea
SMILESCC(C)(CCN1CCCCC1)CNC(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClN3O/c1-24(2,14-17-28-15-4-3-5-16-28)18-26-23(29)27-22-12-8-20(9-13-22)19-6-10-21(25)11-7-19/h6-13H,3-5,14-18H2,1-2H3,(H2,26,27,29)
InChIKeyXXHFAEOPXLZOPJ-UHFFFAOYSA-N
MW413.99 g/mol
LogP6.03
Rot. Bonds7

About 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea

1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea (PubChem CID 143531550) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea
PubChem CID143531550
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea
SMILESCC(C)(CCN1CCCCC1)CNC(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H32ClN3O/c1-24(2,14-17-28-15-4-3-5-16-28)18-26-23(29)27-22-12-8-20(9-13-22)19-6-10-21(25)11-7-19/h6-13H,3-5,14-18H2,1-2H3,(H2,26,27,29)
InChIKeyXXHFAEOPXLZOPJ-UHFFFAOYSA-N
XLogP6.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(2,2-dimethyl-4-piperidin-1-ylbutyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 143531635
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
CID 113234927
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 25222228
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
1-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-1-(2-piperidin-1-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 11684918
1-(4-amino-2,2-dimethylbutyl)-3-phenylurea
CID 106141235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea (CID 143531550) is 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea is CC(C)(CCN1CCCCC1)CNC(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea?
The InChIKey is XXHFAEOPXLZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-24(2,14-17-28-15-4-3-5-16-28)18-26-23(29)27-22-12-8-20(9-13-22)19-6-10-21(25)11-7-19/h6-13H,3-5,14-18H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea?
1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea has a molecular weight of 413.99 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 143531550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).