1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one

C14H23N3O — CID 106637121

IUPAC1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)CC1CCCNC1
InChIInChI=1S/C14H23N3O/c1-16(12-13-5-4-7-15-11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3
InChIKeyQEUKXOAEUPUVDX-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one

1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one (PubChem CID 106637121) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
PubChem CID106637121
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)CC1CCCNC1
InChIInChI=1S/C14H23N3O/c1-16(12-13-5-4-7-15-11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3
InChIKeyQEUKXOAEUPUVDX-UHFFFAOYSA-N
XLogP0.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one (CID 106637121) is 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one is CN(CCn1ccccc1=O)CC1CCCNC1.
What is the InChIKey of 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one?
The InChIKey is QEUKXOAEUPUVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(12-13-5-4-7-15-11-13)9-10-17-8-3-2-6-14(17)18/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3.
What are the key properties of 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one?
1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 106637121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).