4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one

C19H22N2O2 — CID 138377966

IUPAC4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(C)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N2O2/c1-13-4-3-5-14(2)18(13)19(23)21-10-7-15(8-11-21)16-6-9-20-17(22)12-16/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMHOKIDRGSOUXEF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds2

About 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138377966) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138377966
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(C)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N2O2/c1-13-4-3-5-14(2)18(13)19(23)21-10-7-15(8-11-21)16-6-9-20-17(22)12-16/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMHOKIDRGSOUXEF-UHFFFAOYSA-N
XLogP3.01
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
CID 172664056
4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138807182
4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138379715
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379684
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379737
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044926
4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387388
4-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 110647524
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one
CID 138385114
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one (CID 138377966) is 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one is Cc1cccc(C)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is MHOKIDRGSOUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-4-3-5-14(2)18(13)19(23)21-10-7-15(8-11-21)16-6-9-20-17(22)12-16/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138377966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).