3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 81043524

IUPAC3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(C)(C(=O)O)C1)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-4-3-6-16-9-12)8-13(18)17-7-5-15(2,10-17)14(19)20/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyHQPZLUCYIDYZHU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.34
Rot. Bonds4

About 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 81043524) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid
PubChem CID81043524
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(C)(C(=O)O)C1)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-4-3-6-16-9-12)8-13(18)17-7-5-15(2,10-17)14(19)20/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyHQPZLUCYIDYZHU-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid (CID 81043524) is 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid is CC(CC(=O)N1CCC(C)(C(=O)O)C1)C1CCCNC1.
What is the InChIKey of 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HQPZLUCYIDYZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-4-3-6-16-9-12)8-13(18)17-7-5-15(2,10-17)14(19)20/h11-12,16H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81043524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).