N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide

C22H32N2O5 — CID 108549277

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H32N2O5/c1-27-18-13-16(14-19(28-2)20(18)29-3)21(25)23-17-9-11-24(12-10-17)22(26)15-7-5-4-6-8-15/h13-15,17H,4-12H2,1-3H3,(H,23,25)
InChIKeyBEYMIQYCEWUVOX-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 108549277) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID108549277
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H32N2O5/c1-27-18-13-16(14-19(28-2)20(18)29-3)21(25)23-17-9-11-24(12-10-17)22(26)15-7-5-4-6-8-15/h13-15,17H,4-12H2,1-3H3,(H,23,25)
InChIKeyBEYMIQYCEWUVOX-UHFFFAOYSA-N
XLogP3.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide (CID 108549277) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is BEYMIQYCEWUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-27-18-13-16(14-19(28-2)20(18)29-3)21(25)23-17-9-11-24(12-10-17)22(26)15-7-5-4-6-8-15/h13-15,17H,4-12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 108549277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).