1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid

C19H30N2O4 — CID 72848261

IUPAC1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)N2CCCC(CC)(C(=O)O)C2)c(C)o1
InChIInChI=1S/C19H30N2O4/c1-5-19(18(23)24)9-8-10-21(13-19)17(22)16-11-15(25-14(16)4)12-20(6-2)7-3/h11H,5-10,12-13H2,1-4H3,(H,23,24)
InChIKeyQOVSDJZOZHABHM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.15
Rot. Bonds7

About 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid

1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 72848261) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID72848261
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)N2CCCC(CC)(C(=O)O)C2)c(C)o1
InChIInChI=1S/C19H30N2O4/c1-5-19(18(23)24)9-8-10-21(13-19)17(22)16-11-15(25-14(16)4)12-20(6-2)7-3/h11H,5-10,12-13H2,1-4H3,(H,23,24)
InChIKeyQOVSDJZOZHABHM-UHFFFAOYSA-N
XLogP3.15
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid (CID 72848261) is 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid is CCN(CC)Cc1cc(C(=O)N2CCCC(CC)(C(=O)O)C2)c(C)o1.
What is the InChIKey of 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is QOVSDJZOZHABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-19(18(23)24)9-8-10-21(13-19)17(22)16-11-15(25-14(16)4)12-20(6-2)7-3/h11H,5-10,12-13H2,1-4H3,(H,23,24).
What are the key properties of 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid?
1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 350.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylaminomethyl)-2-methylfuran-3-carbonyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 72848261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).