5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid

C12H16N2O4 — CID 103196251

IUPAC5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid
SMILESCNC(=O)C1CCCN(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C12H16N2O4/c1-13-11(15)8-3-2-6-14(7-8)10-5-4-9(18-10)12(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyBXPNIFCHJYPJKM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.94
Rot. Bonds3

About 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid

5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid (PubChem CID 103196251) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid
PubChem CID103196251
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid
SMILESCNC(=O)C1CCCN(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C12H16N2O4/c1-13-11(15)8-3-2-6-14(7-8)10-5-4-9(18-10)12(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyBXPNIFCHJYPJKM-UHFFFAOYSA-N
XLogP0.94
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone
CID 104651487
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
(3S)-1-(5-formylfuran-2-yl)piperidine-3-carboxylic acid
CID 39196870
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid (CID 103196251) is 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid is CNC(=O)C1CCCN(c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid?
The InChIKey is BXPNIFCHJYPJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13-11(15)8-3-2-6-14(7-8)10-5-4-9(18-10)12(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid?
5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid is sourced from PubChem (CID 103196251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).