1-(2-methylpyridine-4-carbonyl)piperidin-3-one

C12H14N2O2 — CID 106753061

IUPAC1-(2-methylpyridine-4-carbonyl)piperidin-3-one
SMILESCc1cc(C(=O)N2CCCC(=O)C2)ccn1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(4-5-13-9)12(16)14-6-2-3-11(15)8-14/h4-5,7H,2-3,6,8H2,1H3
InChIKeyZNFDCIGIIFBINQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds1

About 1-(2-methylpyridine-4-carbonyl)piperidin-3-one

1-(2-methylpyridine-4-carbonyl)piperidin-3-one (PubChem CID 106753061) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-methylpyridine-4-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(2-methylpyridine-4-carbonyl)piperidin-3-one
PubChem CID106753061
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2-methylpyridine-4-carbonyl)piperidin-3-one
SMILESCc1cc(C(=O)N2CCCC(=O)C2)ccn1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(4-5-13-9)12(16)14-6-2-3-11(15)8-14/h4-5,7H,2-3,6,8H2,1H3
InChIKeyZNFDCIGIIFBINQ-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

1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
2-[4-(2-methylpyridine-4-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 106752588
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
1-(5-bromothiophene-3-carbonyl)piperidin-3-one
CID 107961918
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[4-(2-bromoethyl)piperazin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106754168
1-(4-aminobenzoyl)azepan-3-one
CID 91274921

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyridine-4-carbonyl)piperidin-3-one?
The IUPAC name of 1-(2-methylpyridine-4-carbonyl)piperidin-3-one (CID 106753061) is 1-(2-methylpyridine-4-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(2-methylpyridine-4-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(2-methylpyridine-4-carbonyl)piperidin-3-one is Cc1cc(C(=O)N2CCCC(=O)C2)ccn1.
What is the InChIKey of 1-(2-methylpyridine-4-carbonyl)piperidin-3-one?
The InChIKey is ZNFDCIGIIFBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-7-10(4-5-13-9)12(16)14-6-2-3-11(15)8-14/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 1-(2-methylpyridine-4-carbonyl)piperidin-3-one?
1-(2-methylpyridine-4-carbonyl)piperidin-3-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-(2-methylpyridine-4-carbonyl)piperidin-3-one is sourced from PubChem (CID 106753061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).