1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C15H27N3O3 — CID 63145616

IUPAC1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCN(CC)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-5-15(13(19)20)6-7-18(12-15)14(21)17-10-8-16(4-2)9-11-17/h3-12H2,1-2H3,(H,19,20)
InChIKeyPFWPGOGZWKGLFX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145616) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145616
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCN(CC)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-5-15(13(19)20)6-7-18(12-15)14(21)17-10-8-16(4-2)9-11-17/h3-12H2,1-2H3,(H,19,20)
InChIKeyPFWPGOGZWKGLFX-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63149236
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149279
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762
1-but-2-ynoyl-3-propylpyrrolidine-3-carboxylic acid
CID 107986661
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63145616) is 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCN(CC)CC2)C1.
What is the InChIKey of 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is PFWPGOGZWKGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-5-15(13(19)20)6-7-18(12-15)14(21)17-10-8-16(4-2)9-11-17/h3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).