[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

C24H27NO6 — CID 7739823

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C24H27NO6/c1-16-6-4-5-7-19(16)23(27)25-12-10-17(11-13-25)24(28)31-15-20(26)18-8-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15H2,1-3H3
InChIKeyRHCSBRBPFPFABP-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.29
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 7739823) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID7739823
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C24H27NO6/c1-16-6-4-5-7-19(16)23(27)25-12-10-17(11-13-25)24(28)31-15-20(26)18-8-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15H2,1-3H3
InChIKeyRHCSBRBPFPFABP-UHFFFAOYSA-N
XLogP3.29
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739967
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] piperidine-4-carboxylate
CID 174964194
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739812
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 7739823) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is COc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is RHCSBRBPFPFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-16-6-4-5-7-19(16)23(27)25-12-10-17(11-13-25)24(28)31-15-20(26)18-8-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7739823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).