2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

C24H27NO6 — CID 2485896

IUPAC2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H27NO6/c1-15-5-8-18(9-6-15)25-22(27)12-10-19(24(28)31-14-16(2)26)23(25)17-7-11-20(29-3)21(13-17)30-4/h5-9,11,13,19,23H,10,12,14H2,1-4H3/t19-,23?/m1/s1
InChIKeyWUUMIRJQUIKVGI-HWYAHNCWSA-N
MW425.48 g/mol
LogP3.63
Rot. Bonds7

About 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 2485896) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID2485896
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H27NO6/c1-15-5-8-18(9-6-15)25-22(27)12-10-19(24(28)31-14-16(2)26)23(25)17-7-11-20(29-3)21(13-17)30-4/h5-9,11,13,19,23H,10,12,14H2,1-4H3/t19-,23?/m1/s1
InChIKeyWUUMIRJQUIKVGI-HWYAHNCWSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 24639536
[2-(4-methylanilino)-2-oxoethyl] (2S,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 40785983
[2-(4-methylanilino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4969539
2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 43008212
[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 166190725
N-[(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 166354574
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
N-[(2-bromo-5-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 166353524
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-6-oxopiperidine-3-carboxamide
CID 42917796

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (CID 2485896) is 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(C2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is WUUMIRJQUIKVGI-HWYAHNCWSA-N. The full InChI is InChI=1S/C24H27NO6/c1-15-5-8-18(9-6-15)25-22(27)12-10-19(24(28)31-14-16(2)26)23(25)17-7-11-20(29-3)21(13-17)30-4/h5-9,11,13,19,23H,10,12,14H2,1-4H3/t19-,23?/m1/s1.
What are the key properties of 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 2485896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).