2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid

C13H18N2O4 — CID 114263532

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)c1occc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-4-3-5-9(2)15(8)14-12(16)11-10(13(17)18)6-7-19-11/h6-9H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyUGDDSWUJGHJAGC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.89
Rot. Bonds3

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid (PubChem CID 114263532) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
PubChem CID114263532
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)c1occc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-4-3-5-9(2)15(8)14-12(16)11-10(13(17)18)6-7-19-11/h6-9H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyUGDDSWUJGHJAGC-UHFFFAOYSA-N
XLogP1.89
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid (CID 114263532) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid is CC1CCCC(C)N1NC(=O)c1occc1C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is UGDDSWUJGHJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-3-5-9(2)15(8)14-12(16)11-10(13(17)18)6-7-19-11/h6-9H,3-5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 114263532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).