[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C25H30N2O5 — CID 35647240

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-2-31-22-11-7-6-10-21(22)25(30)26-17-24(29)32-18-23(28)27-14-12-20(13-15-27)16-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,26,30)
InChIKeyIDLIJFZKXXCNAV-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.84
Rot. Bonds9

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 35647240) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID35647240
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-2-31-22-11-7-6-10-21(22)25(30)26-17-24(29)32-18-23(28)27-14-12-20(13-15-27)16-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,26,30)
InChIKeyIDLIJFZKXXCNAV-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523991
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807864
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 5078651
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8749693
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807760
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415855

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 35647240) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is IDLIJFZKXXCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-2-31-22-11-7-6-10-21(22)25(30)26-17-24(29)32-18-23(28)27-14-12-20(13-15-27)16-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,26,30).
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 438.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 35647240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).