(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate

C15H19NO4 — CID 55995595

IUPAC(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate
SMILESCn1ccc(C(=O)OCC(=O)C2CCCCC2)cc1=O
InChIInChI=1S/C15H19NO4/c1-16-8-7-12(9-14(16)18)15(19)20-10-13(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
InChIKeyJGPLAFBRCAKTNB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.69
Rot. Bonds4

About (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate

(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 55995595) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Name(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate
PubChem CID55995595
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate
SMILESCn1ccc(C(=O)OCC(=O)C2CCCCC2)cc1=O
InChIInChI=1S/C15H19NO4/c1-16-8-7-12(9-14(16)18)15(19)20-10-13(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
InChIKeyJGPLAFBRCAKTNB-UHFFFAOYSA-N
XLogP1.69
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
CID 55994688
(2-cyclohexyl-2-oxoethyl) 5-methyl-1H-pyrazole-3-carboxylate
CID 146084972
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039940
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 1-methyl-2-oxopyridine-4-carboxylate
CID 55994947
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate (CID 55995595) is (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate is Cn1ccc(C(=O)OCC(=O)C2CCCCC2)cc1=O.
What is the InChIKey of (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is JGPLAFBRCAKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16-8-7-12(9-14(16)18)15(19)20-10-13(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3.
What are the key properties of (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate?
(2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-oxoethyl) 1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 55995595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).