4-(azocane-1-carbonyl)-1-ethylpyridin-2-one

C15H22N2O2 — CID 74249419

IUPAC4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2CCCCCCC2)cc1=O
InChIInChI=1S/C15H22N2O2/c1-2-16-11-8-13(12-14(16)18)15(19)17-9-6-4-3-5-7-10-17/h8,11-12H,2-7,9-10H2,1H3
InChIKeyHPTYGUNWNBQTGL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.27
Rot. Bonds2

About 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one

4-(azocane-1-carbonyl)-1-ethylpyridin-2-one (PubChem CID 74249419) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
PubChem CID74249419
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2CCCCCCC2)cc1=O
InChIInChI=1S/C15H22N2O2/c1-2-16-11-8-13(12-14(16)18)15(19)17-9-6-4-3-5-7-10-17/h8,11-12H,2-7,9-10H2,1H3
InChIKeyHPTYGUNWNBQTGL-UHFFFAOYSA-N
XLogP2.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 77085377
1-ethyl-4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]pyridin-2-one
CID 138380813
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
4-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 95720033
1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
CID 72859044
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213765

Frequently Asked Questions

What is the IUPAC name of 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one?
The IUPAC name of 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one (CID 74249419) is 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one?
The canonical SMILES for 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one is CCn1ccc(C(=O)N2CCCCCCC2)cc1=O.
What is the InChIKey of 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one?
The InChIKey is HPTYGUNWNBQTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-16-11-8-13(12-14(16)18)15(19)17-9-6-4-3-5-7-10-17/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one?
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 74249419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).