5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid

C14H19NO4 — CID 113354315

IUPAC5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H19NO4/c1-9(2)10-5-7-15(8-6-10)13(16)11-3-4-12(19-11)14(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyYXOPAJLZDRXDAK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.49
Rot. Bonds3

About 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid

5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid (PubChem CID 113354315) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
PubChem CID113354315
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H19NO4/c1-9(2)10-5-7-15(8-6-10)13(16)11-3-4-12(19-11)14(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyYXOPAJLZDRXDAK-UHFFFAOYSA-N
XLogP2.49
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid (CID 113354315) is 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid is CC(C)C1CCN(C(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid?
The InChIKey is YXOPAJLZDRXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)10-5-7-15(8-6-10)13(16)11-3-4-12(19-11)14(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid?
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 113354315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).