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

C20H22N2O2 — CID 126842643

IUPAC4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccco3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)10-14-5-7-15(8-6-14)18-11-16(19-4-3-9-24-19)17(12-21)20(23)22-18/h3-9,13,16-18H,10-11H2,1-2H3,(H,22,23)
InChIKeyRCHWFNLRRGDWRL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.96
Rot. Bonds4

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

4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (PubChem CID 126842643) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
PubChem CID126842643
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccco3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)10-14-5-7-15(8-6-14)18-11-16(19-4-3-9-24-19)17(12-21)20(23)22-18/h3-9,13,16-18H,10-11H2,1-2H3,(H,22,23)
InChIKeyRCHWFNLRRGDWRL-UHFFFAOYSA-N
XLogP3.96
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (CID 126842643) is 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is CC(C)Cc1ccc(C2CC(c3ccco3)C(C#N)C(=O)N2)cc1.
What is the InChIKey of 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The InChIKey is RCHWFNLRRGDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)10-14-5-7-15(8-6-14)18-11-16(19-4-3-9-24-19)17(12-21)20(23)22-18/h3-9,13,16-18H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 126842643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).