1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 106976163

IUPAC1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(14(19)20)7-3-10-17(15)13(18)11-21-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyZMQAWSMOWIXQDG-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.00
Rot. Bonds6

About 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976163) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976163
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(14(19)20)7-3-10-17(15)13(18)11-21-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyZMQAWSMOWIXQDG-UHFFFAOYSA-N
XLogP1.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-3-ylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976153
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976163) is 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)COC1CCNCC1.
What is the InChIKey of 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZMQAWSMOWIXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-6-15(14(19)20)7-3-10-17(15)13(18)11-21-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yloxyacetyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).