5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid

C14H18N2O5 — CID 120820566

IUPAC5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCN(C(C)=O)CC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-3-11-10(14(19)20)8-12(21-11)13(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,19,20)
InChIKeyQGXWKVYRPOQFKP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.84
Rot. Bonds3

About 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid

5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid (PubChem CID 120820566) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
PubChem CID120820566
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCN(C(C)=O)CC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-3-11-10(14(19)20)8-12(21-11)13(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,19,20)
InChIKeyQGXWKVYRPOQFKP-UHFFFAOYSA-N
XLogP0.84
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
CID 120822739
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821642
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822008
2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
CID 120820891
5-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822744
5-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 129465623

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid (CID 120820566) is 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N2CCN(C(C)=O)CC2)cc1C(=O)O.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid?
The InChIKey is QGXWKVYRPOQFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-11-10(14(19)20)8-12(21-11)13(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid?
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120820566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).