4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid

C14H23N3O4 — CID 63607667

IUPAC4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C14H23N3O4/c1-3-14(12(19)20)4-7-16(8-5-14)13(21)17-9-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDWXUYKQTIAGWIZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.50
Rot. Bonds2

About 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63607667) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID63607667
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C14H23N3O4/c1-3-14(12(19)20)4-7-16(8-5-14)13(21)17-9-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDWXUYKQTIAGWIZ-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63607820
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983885
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658909
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
1-(3-oxopiperazine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126262
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid (CID 63607667) is 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)CC1.
What is the InChIKey of 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is DWXUYKQTIAGWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-14(12(19)20)4-7-16(8-5-14)13(21)17-9-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).