3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one

C12H14N2O2 — CID 114499676

IUPAC3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2cccnc2)CCC1=O
InChIInChI=1S/C12H14N2O2/c1-9-8-14(6-4-11(9)15)12(16)10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyFWUZJWYYYZAXEX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.13
Rot. Bonds1

About 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one

3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one (PubChem CID 114499676) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
PubChem CID114499676
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2cccnc2)CCC1=O
InChIInChI=1S/C12H14N2O2/c1-9-8-14(6-4-11(9)15)12(16)10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyFWUZJWYYYZAXEX-UHFFFAOYSA-N
XLogP1.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one (CID 114499676) is 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one is CC1CN(C(=O)c2cccnc2)CCC1=O.
What is the InChIKey of 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one?
The InChIKey is FWUZJWYYYZAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-8-14(6-4-11(9)15)12(16)10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one?
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one is sourced from PubChem (CID 114499676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).