[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C21H22N2O3 — CID 2467135

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-18-5-3-4-6-19(18)26-20(15)21(24)23-13-11-22(12-14-23)16-7-9-17(25-2)10-8-16/h3-10H,11-14H2,1-2H3
InChIKeyWBHYFSNIOHYKKH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.71
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2467135) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2467135
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-18-5-3-4-6-19(18)26-20(15)21(24)23-13-11-22(12-14-23)16-7-9-17(25-2)10-8-16/h3-10H,11-14H2,1-2H3
InChIKeyWBHYFSNIOHYKKH-UHFFFAOYSA-N
XLogP3.71
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Furanylfentanyl
CID 13653606
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
Befuraline hydrochloride
CID 73346
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
Befuraline
CID 68664
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Arylaminoethyl amide deriv. 15
CID 11387421
Arylaminoethyl amide, 20
CID 11649751
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 2467135) is [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WBHYFSNIOHYKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-18-5-3-4-6-19(18)26-20(15)21(24)23-13-11-22(12-14-23)16-7-9-17(25-2)10-8-16/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2467135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).