1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid

C12H13NO6 — CID 112568035

IUPAC1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccco2)CC1C(=O)O
InChIInChI=1S/C12H13NO6/c14-10(9-2-1-5-19-9)13-4-3-7(11(15)16)8(6-13)12(17)18/h1-2,5,7-8H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyKLAUFSQHWLSMPT-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.53
Rot. Bonds3

About 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid

1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568035) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568035
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccco2)CC1C(=O)O
InChIInChI=1S/C12H13NO6/c14-10(9-2-1-5-19-9)13-4-3-7(11(15)16)8(6-13)12(17)18/h1-2,5,7-8H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyKLAUFSQHWLSMPT-UHFFFAOYSA-N
XLogP0.53
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid (CID 112568035) is 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)c2ccco2)CC1C(=O)O.
What is the InChIKey of 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is KLAUFSQHWLSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c14-10(9-2-1-5-19-9)13-4-3-7(11(15)16)8(6-13)12(17)18/h1-2,5,7-8H,3-4,6H2,(H,15,16)(H,17,18).
What are the key properties of 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).