1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C14H20N2O4 — CID 106744068

IUPAC1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H20N2O4/c1-10-7-12(13(17)18)3-5-16(10)14(19)15(2)8-11-4-6-20-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyRIPMCBIUYIZLJJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.02
Rot. Bonds3

About 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744068) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744068
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H20N2O4/c1-10-7-12(13(17)18)3-5-16(10)14(19)15(2)8-11-4-6-20-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyRIPMCBIUYIZLJJ-UHFFFAOYSA-N
XLogP2.02
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744068) is 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)Cc1ccoc1.
What is the InChIKey of 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is RIPMCBIUYIZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-7-12(13(17)18)3-5-16(10)14(19)15(2)8-11-4-6-20-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).