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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Related Compounds

5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
5-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]furan-2-carboxylic acid
CID 124595190
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 104607879
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568

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).