1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one

C14H23N3O — CID 62658675

IUPAC1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
SMILESCCn1cc(NCC2CCN(C)CC2)ccc1=O
InChIInChI=1S/C14H23N3O/c1-3-17-11-13(4-5-14(17)18)15-10-12-6-8-16(2)9-7-12/h4-5,11-12,15H,3,6-10H2,1-2H3
InChIKeyHSHOMVJWALVKCD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds4

About 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one

1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one (PubChem CID 62658675) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
PubChem CID62658675
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
SMILESCCn1cc(NCC2CCN(C)CC2)ccc1=O
InChIInChI=1S/C14H23N3O/c1-3-17-11-13(4-5-14(17)18)15-10-12-6-8-16(2)9-7-12/h4-5,11-12,15H,3,6-10H2,1-2H3
InChIKeyHSHOMVJWALVKCD-UHFFFAOYSA-N
XLogP1.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one (CID 62658675) is 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one is CCn1cc(NCC2CCN(C)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one?
The InChIKey is HSHOMVJWALVKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-11-13(4-5-14(17)18)15-10-12-6-8-16(2)9-7-12/h4-5,11-12,15H,3,6-10H2,1-2H3.
What are the key properties of 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one?
1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 62658675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).