1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one

C14H23N3O — CID 115714054

IUPAC1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one
SMILESCC1CN(C)CCC1NCCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-12-11-16(2)9-6-13(12)15-7-10-17-8-4-3-5-14(17)18/h3-5,8,12-13,15H,6-7,9-11H2,1-2H3
InChIKeyRRGAEOPPVLTNGT-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one

1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one (PubChem CID 115714054) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one
PubChem CID115714054
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one
SMILESCC1CN(C)CCC1NCCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-12-11-16(2)9-6-13(12)15-7-10-17-8-4-3-5-14(17)18/h3-5,8,12-13,15H,6-7,9-11H2,1-2H3
InChIKeyRRGAEOPPVLTNGT-UHFFFAOYSA-N
XLogP0.78
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 ≤ 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-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one (CID 115714054) is 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one is CC1CN(C)CCC1NCCn1ccccc1=O.
What is the InChIKey of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one?
The InChIKey is RRGAEOPPVLTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-11-16(2)9-6-13(12)15-7-10-17-8-4-3-5-14(17)18/h3-5,8,12-13,15H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one?
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 115714054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).