1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 63607820

IUPAC1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)C1
InChIInChI=1S/C14H23N3O4/c1-3-4-14(12(19)20)5-7-16(9-14)13(21)17-8-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyBRGANNFZVHFGMT-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.50
Rot. Bonds3

About 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63607820) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63607820
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)C1
InChIInChI=1S/C14H23N3O4/c1-3-4-14(12(19)20)5-7-16(9-14)13(21)17-8-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyBRGANNFZVHFGMT-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 63607667
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983885
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
CID 102783127
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658909
1-(3-oxopiperazine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126262
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144812
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63607820) is 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCNC(=O)C2C)C1.
What is the InChIKey of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is BRGANNFZVHFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-4-14(12(19)20)5-7-16(9-14)13(21)17-8-6-15-11(18)10(17)2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63607820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).