3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one

C56H64Cl4N4O6 — CID 161152554

IUPAC3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CN2CCOC2=O)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC)CN2CCOC2=O)C1=O
InChIInChI=1S/2C28H32Cl2N2O3/c2*1-4-13-28(3)17-24(20-7-6-8-22(30)16-20)25(19-9-11-21(29)12-10-19)32(26(28)33)23(5-2)18-31-14-15-35-27(31)34/h2*4,6-12,16,23-25H,1,5,13-15,17-18H2,2-3H3/t23-,24+,25+,28-;23-,24-,25-,28+/m01/s1
InChIKeyUOWKOZTVCNXQJS-NRGVSRIVSA-N
MW1030.96 g/mol
LogP13.73
Rot. Bonds16

About 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one

3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one (PubChem CID 161152554) has the molecular formula C56H64Cl4N4O6 and a molecular weight of 1030.96 g/mol. Its IUPAC name is 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one
PubChem CID161152554
Molecular FormulaC56H64Cl4N4O6
Molecular Weight1030.96 g/mol
Exact Mass1028.36
IUPAC Name3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CN2CCOC2=O)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC)CN2CCOC2=O)C1=O
InChIInChI=1S/2C28H32Cl2N2O3/c2*1-4-13-28(3)17-24(20-7-6-8-22(30)16-20)25(19-9-11-21(29)12-10-19)32(26(28)33)23(5-2)18-31-14-15-35-27(31)34/h2*4,6-12,16,23-25H,1,5,13-15,17-18H2,2-3H3/t23-,24+,25+,28-;23-,24-,25-,28+/m01/s1
InChIKeyUOWKOZTVCNXQJS-NRGVSRIVSA-N
XLogP13.73
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.96
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one (CID 161152554) is 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one is C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CN2CCOC2=O)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC)CN2CCOC2=O)C1=O.
What is the InChIKey of 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one?
The InChIKey is UOWKOZTVCNXQJS-NRGVSRIVSA-N. The full InChI is InChI=1S/2C28H32Cl2N2O3/c2*1-4-13-28(3)17-24(20-7-6-8-22(30)16-20)25(19-9-11-21(29)12-10-19)32(26(28)33)23(5-2)18-31-14-15-35-27(31)34/h2*4,6-12,16,23-25H,1,5,13-15,17-18H2,2-3H3/t23-,24+,25+,28-;23-,24-,25-,28+/m01/s1.
What are the key properties of 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one has a molecular weight of 1030.96 g/mol, XLogP of 13.73, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one;3-[(2S)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 161152554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).