[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate

C22H31NO3 — CID 144737186

IUPAC[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Cc2ccc(OC(=O)C3CCC(C)CC3)nc2)CC1
InChIInChI=1S/C22H31NO3/c1-15-3-8-18(9-4-15)20(24)13-17-7-12-21(23-14-17)26-22(25)19-10-5-16(2)6-11-19/h7,12,14-16,18-19H,3-6,8-11,13H2,1-2H3
InChIKeyNSAPOQILQFSKGW-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.75
Rot. Bonds5

About [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate

[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate (PubChem CID 144737186) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate
PubChem CID144737186
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Cc2ccc(OC(=O)C3CCC(C)CC3)nc2)CC1
InChIInChI=1S/C22H31NO3/c1-15-3-8-18(9-4-15)20(24)13-17-7-12-21(23-14-17)26-22(25)19-10-5-16(2)6-11-19/h7,12,14-16,18-19H,3-6,8-11,13H2,1-2H3
InChIKeyNSAPOQILQFSKGW-UHFFFAOYSA-N
XLogP4.75
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate with MolForge

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Related Compounds

ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
(5-propyl-2-pyridinyl) propanoate
CID 146561214
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
CID 116577277
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
(4-pentoxyphenyl) 4-methylcyclohexane-1-carboxylate
CID 58651924
(5-bromo-2-pyridinyl) piperidine-4-carboxylate
CID 153380500
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
CID 61258072
[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 167706278
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate (CID 144737186) is [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)Cc2ccc(OC(=O)C3CCC(C)CC3)nc2)CC1.
What is the InChIKey of [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is NSAPOQILQFSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-15-3-8-18(9-4-15)20(24)13-17-7-12-21(23-14-17)26-22(25)19-10-5-16(2)6-11-19/h7,12,14-16,18-19H,3-6,8-11,13H2,1-2H3.
What are the key properties of [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate?
[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 357.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 144737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).