1-(6-methylpyridine-2-carbonyl)piperidin-4-one

C12H14N2O2 — CID 24708249

IUPAC1-(6-methylpyridine-2-carbonyl)piperidin-4-one
SMILESCc1cccc(C(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C12H14N2O2/c1-9-3-2-4-11(13-9)12(16)14-7-5-10(15)6-8-14/h2-4H,5-8H2,1H3
InChIKeyMQQCGWIJWWNYDK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds1

About 1-(6-methylpyridine-2-carbonyl)piperidin-4-one

1-(6-methylpyridine-2-carbonyl)piperidin-4-one (PubChem CID 24708249) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(6-methylpyridine-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-methylpyridine-2-carbonyl)piperidin-4-one
PubChem CID24708249
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(6-methylpyridine-2-carbonyl)piperidin-4-one
SMILESCc1cccc(C(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C12H14N2O2/c1-9-3-2-4-11(13-9)12(16)14-7-5-10(15)6-8-14/h2-4H,5-8H2,1H3
InChIKeyMQQCGWIJWWNYDK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114500890
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
(6-methyl-2-pyridinyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880944
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95351719

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridine-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(6-methylpyridine-2-carbonyl)piperidin-4-one (CID 24708249) is 1-(6-methylpyridine-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(6-methylpyridine-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(6-methylpyridine-2-carbonyl)piperidin-4-one is Cc1cccc(C(=O)N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(6-methylpyridine-2-carbonyl)piperidin-4-one?
The InChIKey is MQQCGWIJWWNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-3-2-4-11(13-9)12(16)14-7-5-10(15)6-8-14/h2-4H,5-8H2,1H3.
What are the key properties of 1-(6-methylpyridine-2-carbonyl)piperidin-4-one?
1-(6-methylpyridine-2-carbonyl)piperidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridine-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 24708249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).