2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid

C15H26N2O3 — CID 81043675

IUPAC2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(CC(=O)N1CCCC1CC(=O)O)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-4-2-6-16-10-12)8-14(18)17-7-3-5-13(17)9-15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20)
InChIKeyYJFCUZPHCUEPPK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds5

About 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 81043675) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
PubChem CID81043675
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(CC(=O)N1CCCC1CC(=O)O)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-4-2-6-16-10-12)8-14(18)17-7-3-5-13(17)9-15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20)
InChIKeyYJFCUZPHCUEPPK-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 122081320
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
CID 115867435
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 81047905
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid (CID 81043675) is 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid is CC(CC(=O)N1CCCC1CC(=O)O)C1CCCNC1.
What is the InChIKey of 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is YJFCUZPHCUEPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-4-2-6-16-10-12)8-14(18)17-7-3-5-13(17)9-15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 81043675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).