1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid

C14H21NO3 — CID 65068552

IUPAC1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccoc2)C1
InChIInChI=1S/C14H21NO3/c1-2-5-14(13(16)17)6-3-7-15(11-14)9-12-4-8-18-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,16,17)
InChIKeyXUARWMDWQPLRKT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.75
Rot. Bonds5

About 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid

1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 65068552) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID65068552
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccoc2)C1
InChIInChI=1S/C14H21NO3/c1-2-5-14(13(16)17)6-3-7-15(11-14)9-12-4-8-18-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,16,17)
InChIKeyXUARWMDWQPLRKT-UHFFFAOYSA-N
XLogP2.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid (CID 65068552) is 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(Cc2ccoc2)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is XUARWMDWQPLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-5-14(13(16)17)6-3-7-15(11-14)9-12-4-8-18-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,16,17).
What are the key properties of 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid?
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).