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

C19H25N3O4 — CID 3630000

IUPACethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1
InChIInChI=1S/C19H25N3O4/c1-2-25-19(24)21-9-7-20(8-10-21)18(23)16-12-17-15(6-11-26-17)22(16)13-14-4-3-5-14/h6,11-12,14H,2-5,7-10,13H2,1H3
InChIKeyPARHFACWPVMWCM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.95
Rot. Bonds4

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

ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 3630000) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
PubChem CID3630000
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1
InChIInChI=1S/C19H25N3O4/c1-2-25-19(24)21-9-7-20(8-10-21)18(23)16-12-17-15(6-11-26-17)22(16)13-14-4-3-5-14/h6,11-12,14H,2-5,7-10,13H2,1H3
InChIKeyPARHFACWPVMWCM-UHFFFAOYSA-N
XLogP2.95
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42792643
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42790807
[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
4-(cyclobutylmethyl)-N-(3-methoxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792645
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
4-(cyclobutylmethyl)-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7361911
ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438707
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
4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 12733398
[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 7112965

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (CID 3630000) is ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1.
What is the InChIKey of ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is PARHFACWPVMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-25-19(24)21-9-7-20(8-10-21)18(23)16-12-17-15(6-11-26-17)22(16)13-14-4-3-5-14/h6,11-12,14H,2-5,7-10,13H2,1H3.
What are the key properties of ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3630000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).