N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

C24H28N2O6 — CID 1075523

IUPACN-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-15(27)17-6-5-7-19(12-17)25-23(28)16-8-10-26(11-9-16)24(29)18-13-20(30-2)22(32-4)21(14-18)31-3/h5-7,12-14,16H,8-11H2,1-4H3,(H,25,28)
InChIKeyFHZPMYYMGDAUCX-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.41
Rot. Bonds7

About N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1075523) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID1075523
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC NameN-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-15(27)17-6-5-7-19(12-17)25-23(28)16-8-10-26(11-9-16)24(29)18-13-20(30-2)22(32-4)21(14-18)31-3/h5-7,12-14,16H,8-11H2,1-4H3,(H,25,28)
InChIKeyFHZPMYYMGDAUCX-UHFFFAOYSA-N
XLogP3.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (CID 1075523) is N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is FHZPMYYMGDAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-15(27)17-6-5-7-19(12-17)25-23(28)16-8-10-26(11-9-16)24(29)18-13-20(30-2)22(32-4)21(14-18)31-3/h5-7,12-14,16H,8-11H2,1-4H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).