4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid

C15H21NO4 — CID 63125392

IUPAC4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCC(CC)(C(=O)O)CC2)o1
InChIInChI=1S/C15H21NO4/c1-3-11-5-6-12(20-11)13(17)16-9-7-15(4-2,8-10-16)14(18)19/h5-6H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyPALSTQRTULOVAU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.56
Rot. Bonds4

About 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63125392) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID63125392
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCC(CC)(C(=O)O)CC2)o1
InChIInChI=1S/C15H21NO4/c1-3-11-5-6-12(20-11)13(17)16-9-7-15(4-2,8-10-16)14(18)19/h5-6H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyPALSTQRTULOVAU-UHFFFAOYSA-N
XLogP2.56
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093
3-ethyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146284
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
1-(5-ethylfuran-2-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 79086148
2-[4-(5-ethylfuran-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79001404
[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
CID 126805898
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
4-ethyl-1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125324

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid (CID 63125392) is 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid is CCc1ccc(C(=O)N2CCC(CC)(C(=O)O)CC2)o1.
What is the InChIKey of 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PALSTQRTULOVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-11-5-6-12(20-11)13(17)16-9-7-15(4-2,8-10-16)14(18)19/h5-6H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).