[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

C23H25NO5 — CID 7739829

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H25NO5/c1-16-7-3-4-8-18(16)22(26)24-13-11-17(12-14-24)23(27)29-15-20(25)19-9-5-6-10-21(19)28-2/h3-10,17H,11-15H2,1-2H3
InChIKeyTZUAGMFOOICDQJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.28
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 7739829) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID7739829
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H25NO5/c1-16-7-3-4-8-18(16)22(26)24-13-11-17(12-14-24)23(27)29-15-20(25)19-9-5-6-10-21(19)28-2/h3-10,17H,11-15H2,1-2H3
InChIKeyTZUAGMFOOICDQJ-UHFFFAOYSA-N
XLogP3.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739823
1-O-tert-butyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924019
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91742565
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
(2-bromophenyl) 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 2563951
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31154587
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739805
[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739967
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 7739829) is [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is COc1ccccc1C(=O)COC(=O)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is TZUAGMFOOICDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-16-7-3-4-8-18(16)22(26)24-13-11-17(12-14-24)23(27)29-15-20(25)19-9-5-6-10-21(19)28-2/h3-10,17H,11-15H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7739829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).