1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide

C26H38N2O6 — CID 87056791

IUPAC1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
SMILESCOc1cc(CCCNC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C26H38N2O6/c1-32-21-16-18(17-22(33-2)24(21)34-3)10-9-14-27-25(30)20-13-7-8-15-28(20)26(31)23(29)19-11-5-4-6-12-19/h16-17,19-20H,4-15H2,1-3H3,(H,27,30)
InChIKeySDQNARMSPFHFSX-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.29
Rot. Bonds10

About 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide

1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide (PubChem CID 87056791) has the molecular formula C26H38N2O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
PubChem CID87056791
Molecular FormulaC26H38N2O6
Molecular Weight474.60 g/mol
Exact Mass474.27
IUPAC Name1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
SMILESCOc1cc(CCCNC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C26H38N2O6/c1-32-21-16-18(17-22(33-2)24(21)34-3)10-9-14-27-25(30)20-13-7-8-15-28(20)26(31)23(29)19-11-5-4-6-12-19/h16-17,19-20H,4-15H2,1-3H3,(H,27,30)
InChIKeySDQNARMSPFHFSX-UHFFFAOYSA-N
XLogP3.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,5-trimethoxyphenyl)propyl 1-[2-(1-hydroxycyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 87056866
1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide
CID 23532246
[(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
(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide
CID 10117716
molecular hydrogen;3-(3,4,5-trimethoxyphenyl)propyl 1-prop-1-en-2-ylpiperidine-2-carboxylate
CID 144759601
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
4-(3,4,5-trimethoxyphenyl)butyl 1-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 176564446
3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-[2-hydroxy-2-(1-hydroxycyclohexyl)acetyl]piperidine-2-carboxylate
CID 176564445
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
CID 10937920
N-[3-(3,4-dimethoxyphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 48586860

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The IUPAC name of 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide (CID 87056791) is 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide is COc1cc(CCCNC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
The InChIKey is SDQNARMSPFHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O6/c1-32-21-16-18(17-22(33-2)24(21)34-3)10-9-14-27-25(30)20-13-7-8-15-28(20)26(31)23(29)19-11-5-4-6-12-19/h16-17,19-20H,4-15H2,1-3H3,(H,27,30).
What are the key properties of 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide?
1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 87056791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).