[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

C82H117N3O18 — CID 158615465

IUPAC[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESCOc1cc(/C=C/CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC
InChIInChI=1S/C28H41NO6.C28H39NO6.C26H37NO6/c2*1-20-18-21(19-24(33-2)26(20)34-3)12-6-5-11-17-35-28(32)23-15-9-10-16-29(23)27(31)25(30)22-13-7-4-8-14-22;1-18-16-19(17-22(31-2)24(18)32-3)10-9-15-33-26(30)21-13-7-8-14-27(21)25(29)23(28)20-11-5-4-6-12-20/h18-19,22-23H,4-17H2,1-3H3;6,12,18-19,22-23H,4-5,7-11,13-17H2,1-3H3;16-17,20-21H,4-15H2,1-3H3/b;12-6+;
InChIKeyHXIIZLGXRSRVGZ-JFOHBEEMSA-N
MW1432.84 g/mol
LogP13.70
Rot. Bonds30

About [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (PubChem CID 158615465) has the molecular formula C82H117N3O18 and a molecular weight of 1432.84 g/mol. Its IUPAC name is [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
PubChem CID158615465
Molecular FormulaC82H117N3O18
Molecular Weight1432.84 g/mol
Exact Mass1431.83
IUPAC Name[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESCOc1cc(/C=C/CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC
InChIInChI=1S/C28H41NO6.C28H39NO6.C26H37NO6/c2*1-20-18-21(19-24(33-2)26(20)34-3)12-6-5-11-17-35-28(32)23-15-9-10-16-29(23)27(31)25(30)22-13-7-4-8-14-22;1-18-16-19(17-22(31-2)24(18)32-3)10-9-15-33-26(30)21-13-7-8-14-27(21)25(29)23(28)20-11-5-4-6-12-20/h18-19,22-23H,4-17H2,1-3H3;6,12,18-19,22-23H,4-5,7-11,13-17H2,1-3H3;16-17,20-21H,4-15H2,1-3H3/b;12-6+;
InChIKeyHXIIZLGXRSRVGZ-JFOHBEEMSA-N
XLogP13.70
TPSA246.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.84
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate with MolForge

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Related Compounds

3-(3,4,5-trimethoxyphenyl)propyl 1-[2-(1-hydroxycyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 87056866
5-(3-methoxy-4,5-dimethylphenyl)pentyl 1-[2-(1-methylcyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 121368009
3-(3-methoxy-4,5-dimethylphenyl)propyl 1-[2-(1-methylcyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 121368003
molecular hydrogen;3-(3,4,5-trimethoxyphenyl)propyl 1-prop-1-en-2-ylpiperidine-2-carboxylate
CID 144759601
4-(4-methoxyphenyl)butyl 1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 21258245
4-(3,4,5-trimethoxyphenyl)butyl 1-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 176564446
1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
CID 87056791
3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-[2-hydroxy-2-(1-hydroxycyclohexyl)acetyl]piperidine-2-carboxylate
CID 176564445
1-O-benzyl 2-O-[(3,4-dimethoxy-5-methylphenyl)methyl] (2S)-piperidine-1,2-dicarboxylate
CID 160819970
4-(4-methoxyphenyl)butyl 1-[2-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carboxylate
CID 21258249
1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate
CID 144759630
2-O-[3-(2,5-dimethoxyphenyl)propyl] 1-O-(3,4,5-trimethoxyphenyl) (2S)-piperidine-1,2-dicarboxylate
CID 176564452

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The IUPAC name of [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (CID 158615465) is [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.
What is the SMILES notation for [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The canonical SMILES for [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is COc1cc(/C=C/CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.COc1cc(CCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(C)c1OC.
What is the InChIKey of [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The InChIKey is HXIIZLGXRSRVGZ-JFOHBEEMSA-N. The full InChI is InChI=1S/C28H41NO6.C28H39NO6.C26H37NO6/c2*1-20-18-21(19-24(33-2)26(20)34-3)12-6-5-11-17-35-28(32)23-15-9-10-16-29(23)27(31)25(30)22-13-7-4-8-14-22;1-18-16-19(17-22(31-2)24(18)32-3)10-9-15-33-26(30)21-13-7-8-14-27(21)25(29)23(28)20-11-5-4-6-12-20/h18-19,22-23H,4-17H2,1-3H3;6,12,18-19,22-23H,4-5,7-11,13-17H2,1-3H3;16-17,20-21H,4-15H2,1-3H3/b;12-6+;.
What are the key properties of [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
[(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate has a molecular weight of 1432.84 g/mol, XLogP of 13.70, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(3,4-dimethoxy-5-methylphenyl)pent-4-enyl] 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;5-(3,4-dimethoxy-5-methylphenyl)pentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-(3,4-dimethoxy-5-methylphenyl)propyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 158615465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).