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

C21H25N3O2 — CID 42791288

IUPAC(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(c3ccccc3C)CC2)cc2oc(C)cc21
InChIInChI=1S/C21H25N3O2/c1-4-24-18-13-16(3)26-20(18)14-19(24)21(25)23-11-9-22(10-12-23)17-8-6-5-7-15(17)2/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyLPFWYKYMSPMFGD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.83
Rot. Bonds3

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

(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 42791288) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID42791288
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(c3ccccc3C)CC2)cc2oc(C)cc21
InChIInChI=1S/C21H25N3O2/c1-4-24-18-13-16(3)26-20(18)14-19(24)21(25)23-11-9-22(10-12-23)17-8-6-5-7-15(17)2/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyLPFWYKYMSPMFGD-UHFFFAOYSA-N
XLogP3.83
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-4-ium-1-yl)-(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 7112880
[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42792643
[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42791427
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
[2-methyl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42791440
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 7231179
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 42791288) is (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is CCn1c(C(=O)N2CCN(c3ccccc3C)CC2)cc2oc(C)cc21.
What is the InChIKey of (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is LPFWYKYMSPMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-24-18-13-16(3)26-20(18)14-19(24)21(25)23-11-9-22(10-12-23)17-8-6-5-7-15(17)2/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42791288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).