ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate

C24H28N2O6 — CID 1072833

IUPACethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H28N2O6/c1-4-32-24(29)17-5-8-19(9-6-17)25-22(27)16-11-13-26(14-12-16)23(28)18-7-10-20(30-2)21(15-18)31-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyZSVGBWACWCMHRA-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.37
Rot. Bonds7

About ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate

ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 1072833) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID1072833
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Nameethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H28N2O6/c1-4-32-24(29)17-5-8-19(9-6-17)25-22(27)16-11-13-26(14-12-16)23(28)18-7-10-20(30-2)21(15-18)31-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyZSVGBWACWCMHRA-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
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N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8001903
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[5-(3-Dimethylamino-benzoylamino)-2-methyl-phenyl]-3,4-dimethoxy-benzamide
CID 23443327
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
Methylenedioxybenzoyl ethyl PABA
CID 785868
Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
CID 3238214
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CID 743729

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate (CID 1072833) is ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is ZSVGBWACWCMHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-32-24(29)17-5-8-19(9-6-17)25-22(27)16-11-13-26(14-12-16)23(28)18-7-10-20(30-2)21(15-18)31-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,27).
What are the key properties of ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1072833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).