1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid

C15H23NO3 — CID 65068786

IUPAC1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(C)c2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-3-7-15(14(17)18)8-5-9-16(11-15)12(2)13-6-4-10-19-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,18)
InChIKeyRJJQKRQSSGAIGW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.31
Rot. Bonds5

About 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid

1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 65068786) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID65068786
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(C)c2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-3-7-15(14(17)18)8-5-9-16(11-15)12(2)13-6-4-10-19-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,18)
InChIKeyRJJQKRQSSGAIGW-UHFFFAOYSA-N
XLogP3.31
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic 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

1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068895
1-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060663
1-octan-2-yl-3-propylpiperidine-3-carboxylic acid
CID 65069079
1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
1-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068446
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068753
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid (CID 65068786) is 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(C)c2ccco2)C1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is RJJQKRQSSGAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-7-15(14(17)18)8-5-9-16(11-15)12(2)13-6-4-10-19-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid?
1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).