4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile

C22H23ClN2O — CID 78291682

IUPAC4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccc(Cl)cc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C22H23ClN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26)
InChIKeyQLPSYHOOGFQBBK-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.02
Rot. Bonds4

About 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile

4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (PubChem CID 78291682) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
PubChem CID78291682
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccc(Cl)cc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C22H23ClN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26)
InChIKeyQLPSYHOOGFQBBK-UHFFFAOYSA-N
XLogP5.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (CID 78291682) is 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is CC(C)Cc1ccc(C2CC(c3ccc(Cl)cc3)C(C#N)C(=O)N2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The InChIKey is QLPSYHOOGFQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26).
What are the key properties of 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile has a molecular weight of 366.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 78291682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).