[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

C17H22N2O2 — CID 7231179

IUPAC[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(C)Cn1c(C(=O)N2CCCCC2)cc2oc(C)cc21
InChIInChI=1S/C17H22N2O2/c1-12(2)11-19-14-9-13(3)21-16(14)10-15(19)17(20)18-7-5-4-6-8-18/h9-10H,1,4-8,11H2,2-3H3
InChIKeyMDLHEHHLJCDLGT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.74
Rot. Bonds3

About [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (PubChem CID 7231179) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
PubChem CID7231179
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(C)Cn1c(C(=O)N2CCCCC2)cc2oc(C)cc21
InChIInChI=1S/C17H22N2O2/c1-12(2)11-19-14-9-13(3)21-16(14)10-15(19)17(20)18-7-5-4-6-8-18/h9-10H,1,4-8,11H2,2-3H3
InChIKeyMDLHEHHLJCDLGT-UHFFFAOYSA-N
XLogP3.74
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 42792726
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3491712
N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792724
2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7112861
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602
(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42791288
azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 91958893
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (CID 7231179) is [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is C=C(C)Cn1c(C(=O)N2CCCCC2)cc2oc(C)cc21.
What is the InChIKey of [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is MDLHEHHLJCDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)11-19-14-9-13(3)21-16(14)10-15(19)17(20)18-7-5-4-6-8-18/h9-10H,1,4-8,11H2,2-3H3.
What are the key properties of [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 7231179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).