[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C23H27N3O2 — CID 42792643

IUPAC[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1
InChIInChI=1S/C23H27N3O2/c1-17-5-2-3-8-19(17)24-10-12-25(13-11-24)23(27)21-15-22-20(9-14-28-22)26(21)16-18-6-4-7-18/h2-3,5,8-9,14-15,18H,4,6-7,10-13,16H2,1H3
InChIKeyXZGUKGRUSOLYRV-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.31
Rot. Bonds4

About [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 42792643) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID42792643
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1
InChIInChI=1S/C23H27N3O2/c1-17-5-2-3-8-19(17)24-10-12-25(13-11-24)23(27)21-15-22-20(9-14-28-22)26(21)16-18-6-4-7-18/h2-3,5,8-9,14-15,18H,4,6-7,10-13,16H2,1H3
InChIKeyXZGUKGRUSOLYRV-UHFFFAOYSA-N
XLogP4.31
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42791288
[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
4-(cyclobutylmethyl)-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7361911
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
4-(cyclobutylmethyl)-N-(3-methoxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792645
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42790807
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 42792643) is [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc3occc3n2CC2CCC2)CC1.
What is the InChIKey of [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XZGUKGRUSOLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-5-2-3-8-19(17)24-10-12-25(13-11-24)23(27)21-15-22-20(9-14-28-22)26(21)16-18-6-4-7-18/h2-3,5,8-9,14-15,18H,4,6-7,10-13,16H2,1H3.
What are the key properties of [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).