[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C23H24N2O5 — CID 11916475

IUPAC[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2[C@@H](C(=O)O[C@H](C)C#N)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-15(14-24)30-23(27)20-12-13-21(26)25(17-6-10-19(29-3)11-7-17)22(20)16-4-8-18(28-2)9-5-16/h4-11,15,20,22H,12-13H2,1-3H3/t15-,20+,22?/m1/s1
InChIKeySFNRKCYSNKENQW-FCOREWAKSA-N
MW408.45 g/mol
LogP3.64
Rot. Bonds6

About [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 11916475) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID11916475
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2[C@@H](C(=O)O[C@H](C)C#N)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-15(14-24)30-23(27)20-12-13-21(26)25(17-6-10-19(29-3)11-7-17)22(20)16-4-8-18(28-2)9-5-16/h4-11,15,20,22H,12-13H2,1-3H3/t15-,20+,22?/m1/s1
InChIKeySFNRKCYSNKENQW-FCOREWAKSA-N
XLogP3.64
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 41071182
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 43020518
[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
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 11916475) is [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(C2[C@@H](C(=O)O[C@H](C)C#N)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is SFNRKCYSNKENQW-FCOREWAKSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15(14-24)30-23(27)20-12-13-21(26)25(17-6-10-19(29-3)11-7-17)22(20)16-4-8-18(28-2)9-5-16/h4-11,15,20,22H,12-13H2,1-3H3/t15-,20+,22?/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 11916475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).