ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate

C24H34N2O8 — CID 55306259

IUPACethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1
InChIInChI=1S/C24H34N2O8/c1-6-33-23(29)16-7-9-26(10-8-16)20(27)14-34-24(30)21(15(2)3)25-22(28)17-11-18(31-4)13-19(12-17)32-5/h11-13,15-16,21H,6-10,14H2,1-5H3,(H,25,28)
InChIKeyNEAOAHBEUSDZNM-UHFFFAOYSA-N
MW478.54 g/mol
LogP1.80
Rot. Bonds10

About ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 55306259) has the molecular formula C24H34N2O8 and a molecular weight of 478.54 g/mol. Its IUPAC name is ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID55306259
Molecular FormulaC24H34N2O8
Molecular Weight478.54 g/mol
Exact Mass478.23
IUPAC Nameethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1
InChIInChI=1S/C24H34N2O8/c1-6-33-23(29)16-7-9-26(10-8-16)20(27)14-34-24(30)21(15(2)3)25-22(28)17-11-18(31-4)13-19(12-17)32-5/h11-13,15-16,21H,6-10,14H2,1-5H3,(H,25,28)
InChIKeyNEAOAHBEUSDZNM-UHFFFAOYSA-N
XLogP1.80
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 51491058
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 119375717
2-methylprop-2-enyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 42161531
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55926452
(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8880017
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306175
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 7442541
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564710
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306186
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
(3S)-1-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173519

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate (CID 55306259) is ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is NEAOAHBEUSDZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O8/c1-6-33-23(29)16-7-9-26(10-8-16)20(27)14-34-24(30)21(15(2)3)25-22(28)17-11-18(31-4)13-19(12-17)32-5/h11-13,15-16,21H,6-10,14H2,1-5H3,(H,25,28).
What are the key properties of ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 478.54 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55306259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).