2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C15H25N3O — CID 124907160

IUPAC2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCC[C@H](N(C)C)C2)c(C)c1=O
InChIInChI=1S/C15H25N3O/c1-11-8-16-14(12(2)15(11)19)10-18-7-5-6-13(9-18)17(3)4/h8,13H,5-7,9-10H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyZPDZNKOJASZQJH-ZDUSSCGKSA-N
MW263.38 g/mol
LogP1.52
Rot. Bonds3

About 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 124907160) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID124907160
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCC[C@H](N(C)C)C2)c(C)c1=O
InChIInChI=1S/C15H25N3O/c1-11-8-16-14(12(2)15(11)19)10-18-7-5-6-13(9-18)17(3)4/h8,13H,5-7,9-10H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyZPDZNKOJASZQJH-ZDUSSCGKSA-N
XLogP1.52
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 124907160) is 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CCC[C@H](N(C)C)C2)c(C)c1=O.
What is the InChIKey of 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is ZPDZNKOJASZQJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-16-14(12(2)15(11)19)10-18-7-5-6-13(9-18)17(3)4/h8,13H,5-7,9-10H2,1-4H3,(H,16,19)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 263.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 124907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).