3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid

C16H25NO3 — CID 81046243

IUPAC3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(C)Cc2ccco2)C1
InChIInChI=1S/C16H25NO3/c1-12(9-16(18)19)14-5-3-7-17(11-14)13(2)10-15-6-4-8-20-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyWPTTUGWNWRWCFP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.03
Rot. Bonds6

About 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid

3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid (PubChem CID 81046243) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
PubChem CID81046243
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(C)Cc2ccco2)C1
InChIInChI=1S/C16H25NO3/c1-12(9-16(18)19)14-5-3-7-17(11-14)13(2)10-15-6-4-8-20-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyWPTTUGWNWRWCFP-UHFFFAOYSA-N
XLogP3.03
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[1-(furan-2-yl)propan-2-yl]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

2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939766
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
CID 81047869
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
3-[1-(4-methoxy-4-methylpentan-2-yl)piperidin-3-yl]butanoic acid
CID 81046314
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
1-[1-(furan-2-yl)propan-2-yl]-N,3-dimethylpiperidin-4-amine
CID 54975952
3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid (CID 81046243) is 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(C)Cc2ccco2)C1.
What is the InChIKey of 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid?
The InChIKey is WPTTUGWNWRWCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(9-16(18)19)14-5-3-7-17(11-14)13(2)10-15-6-4-8-20-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid?
3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid has a molecular weight of 279.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).