[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate

C20H28N2O4 — CID 46695873

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H28N2O4/c1-15-7-6-8-16(2)22(15)19(24)14-26-20(25)11-12-21-18(23)13-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,21,23)
InChIKeyKLEKPACZIBFJHG-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.07
Rot. Bonds7

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate (PubChem CID 46695873) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
PubChem CID46695873
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H28N2O4/c1-15-7-6-8-16(2)22(15)19(24)14-26-20(25)11-12-21-18(23)13-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,21,23)
InChIKeyKLEKPACZIBFJHG-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
benzyl 3-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]propanoate
CID 59404507
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 42892334
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356069
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356068
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3558570
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46696044
N-benzyl-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7981693
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55508997
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880632

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate (CID 46695873) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate is CC1CCCC(C)N1C(=O)COC(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is KLEKPACZIBFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-7-6-8-16(2)22(15)19(24)14-26-20(25)11-12-21-18(23)13-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,21,23).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 360.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 46695873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).