[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C19H26N2O5 — CID 7807864

IUPAC[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C19H26N2O5/c1-3-25-16-9-5-4-8-15(16)19(24)20-11-18(23)26-13-17(22)21-10-6-7-14(2)12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAOXQIMFBXHCPRY-AWEZNQCLSA-N
MW362.43 g/mol
LogP1.62
Rot. Bonds7

About [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807864) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807864
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C19H26N2O5/c1-3-25-16-9-5-4-8-15(16)19(24)20-11-18(23)26-13-17(22)21-10-6-7-14(2)12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAOXQIMFBXHCPRY-AWEZNQCLSA-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

Analyze [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate with MolForge

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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-ethoxybenzoyl)amino]acetate
CID 35647240
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364264
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
[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
3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 120536602
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 55320542
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807864) is [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is AOXQIMFBXHCPRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-25-16-9-5-4-8-15(16)19(24)20-11-18(23)26-13-17(22)21-10-6-7-14(2)12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-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-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).