3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid

C13H21N3O4 — CID 107436436

IUPAC3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C13H21N3O4/c1-2-13(12(19)20)4-3-5-16(8-13)11(18)9-6-15-10(17)7-14-9/h9,14H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyJGZDISXNWWIHAQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.82
Rot. Bonds3

About 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid

3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 107436436) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID107436436
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C13H21N3O4/c1-2-13(12(19)20)4-3-5-16(8-13)11(18)9-6-15-10(17)7-14-9/h9,14H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyJGZDISXNWWIHAQ-UHFFFAOYSA-N
XLogP-0.82
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068165
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 97154063
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid (CID 107436436) is 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)C2CNC(=O)CN2)C1.
What is the InChIKey of 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JGZDISXNWWIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-13(12(19)20)4-3-5-16(8-13)11(18)9-6-15-10(17)7-14-9/h9,14H,2-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107436436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).