1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

C16H22Cl2N2O2 — CID 71757920

IUPAC1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCN1CCN(CCC(=O)c2cc3ccccc3o2)CC1.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-17-8-10-18(11-9-17)7-6-14(19)16-12-13-4-2-3-5-15(13)20-16;;/h2-5,12H,6-11H2,1H3;2*1H
InChIKeyMAXYTEWFGCDPHL-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 71757920) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID71757920
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCN1CCN(CCC(=O)c2cc3ccccc3o2)CC1.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-17-8-10-18(11-9-17)7-6-14(19)16-12-13-4-2-3-5-15(13)20-16;;/h2-5,12H,6-11H2,1H3;2*1H
InChIKeyMAXYTEWFGCDPHL-UHFFFAOYSA-N
XLogP3.10
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
3-(4-methylpiperazin-1-yl)propyl 1-benzofuran-2-carboxylate
CID 171343952
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
3-(3-piperidin-1-ylpropanoyl)chromen-2-one
CID 25156895
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
2-[1-[3-(1-benzofuran-2-yl)-3-oxopropyl]pyrrolidin-2-yl]acetic acid
CID 82183506
1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
CID 170864315
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 71757920) is 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is CN1CCN(CCC(=O)c2cc3ccccc3o2)CC1.Cl.Cl.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is MAXYTEWFGCDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.2ClH/c1-17-8-10-18(11-9-17)7-6-14(19)16-12-13-4-2-3-5-15(13)20-16;;/h2-5,12H,6-11H2,1H3;2*1H.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 71757920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).