4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one

C16H26N2O — CID 166030840

IUPAC4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
SMILESCC(C)c1ccn(C2CCN(C(C)C)CC2)c(=O)c1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-10-18(16(19)11-14)15-6-8-17(9-7-15)13(3)4/h5,10-13,15H,6-9H2,1-4H3
InChIKeyVSOXHSDWHLWDOT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds3

About 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one

4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one (PubChem CID 166030840) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
PubChem CID166030840
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
SMILESCC(C)c1ccn(C2CCN(C(C)C)CC2)c(=O)c1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-10-18(16(19)11-14)15-6-8-17(9-7-15)13(3)4/h5,10-13,15H,6-9H2,1-4H3
InChIKeyVSOXHSDWHLWDOT-UHFFFAOYSA-N
XLogP3.02
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one (CID 166030840) is 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one is CC(C)c1ccn(C2CCN(C(C)C)CC2)c(=O)c1.
What is the InChIKey of 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The InChIKey is VSOXHSDWHLWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14-5-10-18(16(19)11-14)15-6-8-17(9-7-15)13(3)4/h5,10-13,15H,6-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 166030840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).