1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid

C17H17Cl2NO3 — CID 122040434

IUPAC1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C17H17Cl2NO3/c18-13-6-4-11(9-14(13)19)16-7-5-12(23-16)10-20-8-2-1-3-15(20)17(21)22/h4-7,9,15H,1-3,8,10H2,(H,21,22)
InChIKeyBFRZZDWKFQDSKY-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.69
Rot. Bonds4

About 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid

1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 122040434) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
PubChem CID122040434
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C17H17Cl2NO3/c18-13-6-4-11(9-14(13)19)16-7-5-12(23-16)10-20-8-2-1-3-15(20)17(21)22/h4-7,9,15H,1-3,8,10H2,(H,21,22)
InChIKeyBFRZZDWKFQDSKY-UHFFFAOYSA-N
XLogP4.69
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid (CID 122040434) is 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is BFRZZDWKFQDSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c18-13-6-4-11(9-14(13)19)16-7-5-12(23-16)10-20-8-2-1-3-15(20)17(21)22/h4-7,9,15H,1-3,8,10H2,(H,21,22).
What are the key properties of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid?
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 354.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).