3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid

C11H17F2NO3 — CID 103513401

IUPAC3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C11H17F2NO3/c1-7(5-9(15)16)8-3-2-4-14(6-8)11(17)10(12)13/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyKVYCJZHNFGNFGQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.60
Rot. Bonds4

About 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid

3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid (PubChem CID 103513401) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
PubChem CID103513401
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C11H17F2NO3/c1-7(5-9(15)16)8-3-2-4-14(6-8)11(17)10(12)13/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyKVYCJZHNFGNFGQ-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid (CID 103513401) is 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C(F)F)C1.
What is the InChIKey of 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid?
The InChIKey is KVYCJZHNFGNFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-7(5-9(15)16)8-3-2-4-14(6-8)11(17)10(12)13/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid?
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid has a molecular weight of 249.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 103513401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).