1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one

C14H23N3O — CID 54866098

IUPAC1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
SMILESCC(C)N1CCC(Nc2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H23N3O/c1-11(2)17-8-6-12(7-9-17)15-13-4-5-14(18)16(3)10-13/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyBRNJNVQBRGACOD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds3

About 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one

1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one (PubChem CID 54866098) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
PubChem CID54866098
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
SMILESCC(C)N1CCC(Nc2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H23N3O/c1-11(2)17-8-6-12(7-9-17)15-13-4-5-14(18)16(3)10-13/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyBRNJNVQBRGACOD-UHFFFAOYSA-N
XLogP1.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one (CID 54866098) is 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one is CC(C)N1CCC(Nc2ccc(=O)n(C)c2)CC1.
What is the InChIKey of 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one?
The InChIKey is BRNJNVQBRGACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-8-6-12(7-9-17)15-13-4-5-14(18)16(3)10-13/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one?
1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one is sourced from PubChem (CID 54866098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).