ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate

C18H23N3O4 — CID 42790807

IUPACethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESC/C=C\Cn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2occc21
InChIInChI=1S/C18H23N3O4/c1-3-5-7-21-14-6-12-25-16(14)13-15(21)17(22)19-8-10-20(11-9-19)18(23)24-4-2/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-
InChIKeyHRAQRFYENWTHLP-HYXAFXHYSA-N
MW345.40 g/mol
LogP2.72
Rot. Bonds4

About ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 42790807) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
PubChem CID42790807
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESC/C=C\Cn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2occc21
InChIInChI=1S/C18H23N3O4/c1-3-5-7-21-14-6-12-25-16(14)13-15(21)17(22)19-8-10-20(11-9-19)18(23)24-4-2/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-
InChIKeyHRAQRFYENWTHLP-HYXAFXHYSA-N
XLogP2.72
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42792643
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate
CID 71958234
4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 12733398
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 4571903
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 7288350
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (CID 42790807) is ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is C/C=C\Cn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2occc21.
What is the InChIKey of ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is HRAQRFYENWTHLP-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-5-7-21-14-6-12-25-16(14)13-15(21)17(22)19-8-10-20(11-9-19)18(23)24-4-2/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-.
What are the key properties of ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42790807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).