ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate

C13H22N2O4 — CID 55003374

IUPACethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H22N2O4/c1-4-19-12(17)9-14(3)13(18)11-5-7-15(8-6-11)10(2)16/h11H,4-9H2,1-3H3
InChIKeyOUVOXPWWJLVQBW-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.27
Rot. Bonds4

About ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate

ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate (PubChem CID 55003374) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
PubChem CID55003374
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H22N2O4/c1-4-19-12(17)9-14(3)13(18)11-5-7-15(8-6-11)10(2)16/h11H,4-9H2,1-3H3
InChIKeyOUVOXPWWJLVQBW-UHFFFAOYSA-N
XLogP0.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
CID 55003925
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
CID 79601174
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 55003930
ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 120635242
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate (CID 55003374) is ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate?
The InChIKey is OUVOXPWWJLVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-19-12(17)9-14(3)13(18)11-5-7-15(8-6-11)10(2)16/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate?
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate has a molecular weight of 270.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate is sourced from PubChem (CID 55003374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).