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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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
2-amino-N-(2,6-dimethylpiperidin-1-yl)-3-fluoropyridine-4-carboxamide
CID 105387166
2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 83013273
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide
CID 78911860
2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol
CID 2392717
N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
CID 141156891
N-(2,6-dimethylpiperidin-1-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388549

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).