1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea

C23H26N4O — CID 154877707

IUPAC1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea
SMILESN#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C23H26N4O/c24-16-19-4-1-2-7-22(19)27-14-12-21(13-15-27)26-23(28)25-20-10-8-18(9-11-20)17-5-3-6-17/h1-2,4,7-11,17,21H,3,5-6,12-15H2,(H2,25,26,28)
InChIKeyWWJMRHVNLZHIOF-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.62
Rot. Bonds4

About 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea

1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea (PubChem CID 154877707) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea
PubChem CID154877707
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea
SMILESN#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C23H26N4O/c24-16-19-4-1-2-7-22(19)27-14-12-21(13-15-27)26-23(28)25-20-10-8-18(9-11-20)17-5-3-6-17/h1-2,4,7-11,17,21H,3,5-6,12-15H2,(H2,25,26,28)
InChIKeyWWJMRHVNLZHIOF-UHFFFAOYSA-N
XLogP4.62
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea?
The IUPAC name of 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea (CID 154877707) is 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea.
What is the SMILES notation for 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea?
The canonical SMILES for 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea is N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1.
What is the InChIKey of 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea?
The InChIKey is WWJMRHVNLZHIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c24-16-19-4-1-2-7-22(19)27-14-12-21(13-15-27)26-23(28)25-20-10-8-18(9-11-20)17-5-3-6-17/h1-2,4,7-11,17,21H,3,5-6,12-15H2,(H2,25,26,28).
What are the key properties of 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea?
1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea has a molecular weight of 374.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea is sourced from PubChem (CID 154877707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).