1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

C21H25N3O — CID 118714743

IUPAC1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O/c1-16(2)15-24-13-10-20(19(14-22)21(24)25)23-11-8-18(9-12-23)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,15H2,1-2H3
InChIKeyFGVGDGVYXOBKPG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 118714743) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID118714743
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O/c1-16(2)15-24-13-10-20(19(14-22)21(24)25)23-11-8-18(9-12-23)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,15H2,1-2H3
InChIKeyFGVGDGVYXOBKPG-UHFFFAOYSA-N
XLogP3.76
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 118714743) is 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is FGVGDGVYXOBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)15-24-13-10-20(19(14-22)21(24)25)23-11-8-18(9-12-23)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,15H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118714743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).