(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

C17H20N2O2 — CID 6465450

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C17H20N2O2/c1-3-8-18-9-11-19(12-10-18)17(20)16-13(2)14-6-4-5-7-15(14)21-16/h3-7H,1,8-12H2,2H3
InChIKeyKSPVZXOSFMZMCM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.69
Rot. Bonds3

About (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 6465450) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID6465450
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C17H20N2O2/c1-3-8-18-9-11-19(12-10-18)17(20)16-13(2)14-6-4-5-7-15(14)21-16/h3-7H,1,8-12H2,2H3
InChIKeyKSPVZXOSFMZMCM-UHFFFAOYSA-N
XLogP2.69
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.69
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

Abexinostat
CID 11749858
CL82198
CID 2777
Befuraline
CID 68664
JNJ-27390467 free base
CID 24180717
2-Benzofurancarboxamide, N-methyl-
CID 660372
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
NS6740
CID 10021664
Furan-2-carboxamide deriv., 17
CID 44236903

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 6465450) is (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2oc3ccccc3c2C)CC1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is KSPVZXOSFMZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-8-18-9-11-19(12-10-18)17(20)16-13(2)14-6-4-5-7-15(14)21-16/h3-7H,1,8-12H2,2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 6465450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).