1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

C13H21N3O5 — CID 107438116

IUPAC1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOC1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-2-21-9-3-5-15(6-4-9)13(20)16-8-11(17)14-7-10(16)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyTVFVSASVOAGZEK-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.51
Rot. Bonds3

About 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438116) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107438116
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOC1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-2-21-9-3-5-15(6-4-9)13(20)16-8-11(17)14-7-10(16)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyTVFVSASVOAGZEK-UHFFFAOYSA-N
XLogP-0.51
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107438597
5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
CID 107438696
1-(4-ethoxypiperidine-1-carbonyl)azepane-2-carboxylic acid
CID 64564479
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107439498
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107439443
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438078
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107438116) is 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is CCOC1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is TVFVSASVOAGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-2-21-9-3-5-15(6-4-9)13(20)16-8-11(17)14-7-10(16)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).