3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide

C26H42N2O4 — CID 60604572

IUPAC3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide
SMILESCCOc1cc(C(=O)N(C)C2CCN(C3CCC(C)CC3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H42N2O4/c1-6-30-23-17-20(18-24(31-7-2)25(23)32-8-3)26(29)27(5)21-13-15-28(16-14-21)22-11-9-19(4)10-12-22/h17-19,21-22H,6-16H2,1-5H3
InChIKeyVIXKFAQBTIGVQO-UHFFFAOYSA-N
MW446.63 g/mol
LogP5.00
Rot. Bonds9

About 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide

3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 60604572) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID60604572
Molecular FormulaC26H42N2O4
Molecular Weight446.63 g/mol
Exact Mass446.31
IUPAC Name3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide
SMILESCCOc1cc(C(=O)N(C)C2CCN(C3CCC(C)CC3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H42N2O4/c1-6-30-23-17-20(18-24(31-7-2)25(23)32-8-3)26(29)27(5)21-13-15-28(16-14-21)22-11-9-19(4)10-12-22/h17-19,21-22H,6-16H2,1-5H3
InChIKeyVIXKFAQBTIGVQO-UHFFFAOYSA-N
XLogP5.00
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154021
N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide
CID 138034487
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3,4,5-triethoxy-N-[(4-methylcyclohexylidene)amino]benzamide
CID 5102951
3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 81094084
3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 78985060
[2,5-dimethyl-4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 4079895
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
2-[methyl-(3,4,5-triethoxybenzoyl)amino]propanoic acid
CID 119209294

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide (CID 60604572) is 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide is CCOc1cc(C(=O)N(C)C2CCN(C3CCC(C)CC3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is VIXKFAQBTIGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O4/c1-6-30-23-17-20(18-24(31-7-2)25(23)32-8-3)26(29)27(5)21-13-15-28(16-14-21)22-11-9-19(4)10-12-22/h17-19,21-22H,6-16H2,1-5H3.
What are the key properties of 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide?
3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 446.63 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 60604572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).