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

C19H26N2O5 — CID 2435047

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H26N2O5/c1-3-25-16-6-4-15(5-7-16)19(24)20-12-18(23)26-13-17(22)21-10-8-14(2)9-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyKWXLSRFDFFPUFU-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.62
Rot. Bonds7

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

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2435047) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2435047
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H26N2O5/c1-3-25-16-6-4-15(5-7-16)19(24)20-12-18(23)26-13-17(22)21-10-8-14(2)9-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyKWXLSRFDFFPUFU-UHFFFAOYSA-N
XLogP1.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 2435047) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is KWXLSRFDFFPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-25-16-6-4-15(5-7-16)19(24)20-12-18(23)26-13-17(22)21-10-8-14(2)9-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,20,24).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 362.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2435047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).