1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 106976153

IUPAC1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CC1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-4-9-17(15)13(18)10-12-5-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyRCSJUIBUYYOBSE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976153) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976153
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CC1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-4-9-17(15)13(18)10-12-5-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyRCSJUIBUYYOBSE-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976163
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
2-piperidin-3-yl-1-(2,2,5,5-tetramethylpiperidin-1-yl)ethanone
CID 138057222
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976153) is 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is RCSJUIBUYYOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-4-9-17(15)13(18)10-12-5-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).