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

C14H22N2O — CID 176692470

IUPAC1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
SMILESCC(C)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-5-12(6-9-16)13-4-7-15(3)14(17)10-13/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyAXIUPXRZYYYKMS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.97
Rot. Bonds2

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

1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one (PubChem CID 176692470) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
PubChem CID176692470
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
SMILESCC(C)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-5-12(6-9-16)13-4-7-15(3)14(17)10-13/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyAXIUPXRZYYYKMS-UHFFFAOYSA-N
XLogP1.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one (CID 176692470) is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one is CC(C)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
The InChIKey is AXIUPXRZYYYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-8-5-12(6-9-16)13-4-7-15(3)14(17)10-13/h4,7,10-12H,5-6,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one?
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 176692470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).