2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid

C15H21NO4 — CID 62303074

IUPAC2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(C(C)N2C(=O)CC(C)C(C(=O)O)C2C)o1
InChIInChI=1S/C15H21NO4/c1-8-7-13(17)16(11(4)14(8)15(18)19)10(3)12-6-5-9(2)20-12/h5-6,8,10-11,14H,7H2,1-4H3,(H,18,19)
InChIKeyGWVCHZXRCRWXDC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds3

About 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid

2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62303074) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62303074
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(C(C)N2C(=O)CC(C)C(C(=O)O)C2C)o1
InChIInChI=1S/C15H21NO4/c1-8-7-13(17)16(11(4)14(8)15(18)19)10(3)12-6-5-9(2)20-12/h5-6,8,10-11,14H,7H2,1-4H3,(H,18,19)
InChIKeyGWVCHZXRCRWXDC-UHFFFAOYSA-N
XLogP2.61
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid (CID 62303074) is 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid is Cc1ccc(C(C)N2C(=O)CC(C)C(C(=O)O)C2C)o1.
What is the InChIKey of 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is GWVCHZXRCRWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-8-7-13(17)16(11(4)14(8)15(18)19)10(3)12-6-5-9(2)20-12/h5-6,8,10-11,14H,7H2,1-4H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62303074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).