4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one

C19H22N2O2 — CID 138807182

IUPAC4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCc1ccccc1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-3-4-6-17(14)19(23)21-11-8-15(9-12-21)16-7-10-20-18(22)13-16/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLWUZFOFVEDTDPM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds3

About 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138807182) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138807182
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCc1ccccc1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-3-4-6-17(14)19(23)21-11-8-15(9-12-21)16-7-10-20-18(22)13-16/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLWUZFOFVEDTDPM-UHFFFAOYSA-N
XLogP2.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138379715
4-[1-(2-ethylbenzoyl)pyrrolidin-3-yl]benzoic acid
CID 56915433
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379684
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
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-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 82701909
4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
CID 172664056
2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
CID 120963460

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one (CID 138807182) is 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one is CCc1ccccc1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is LWUZFOFVEDTDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-5-3-4-6-17(14)19(23)21-11-8-15(9-12-21)16-7-10-20-18(22)13-16/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138807182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).