1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile

C16H23N3O — CID 59391419

IUPAC1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(C2CCNCC2)c(C#N)c1=O
InChIInChI=1S/C16H23N3O/c1-12(2)5-9-19-10-6-14(15(11-17)16(19)20)13-3-7-18-8-4-13/h6,10,12-13,18H,3-5,7-9H2,1-2H3
InChIKeyGOPCJGUUHCVGNM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile

1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 59391419) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID59391419
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(C2CCNCC2)c(C#N)c1=O
InChIInChI=1S/C16H23N3O/c1-12(2)5-9-19-10-6-14(15(11-17)16(19)20)13-3-7-18-8-4-13/h6,10,12-13,18H,3-5,7-9H2,1-2H3
InChIKeyGOPCJGUUHCVGNM-UHFFFAOYSA-N
XLogP2.23
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile (CID 59391419) is 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile is CC(C)CCn1ccc(C2CCNCC2)c(C#N)c1=O.
What is the InChIKey of 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is GOPCJGUUHCVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)5-9-19-10-6-14(15(11-17)16(19)20)13-3-7-18-8-4-13/h6,10,12-13,18H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile?
1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 59391419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).