2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C16H21ClN2O2 — CID 119471792

IUPAC2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1C)c1cc2ccccc2o1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-10-17-7-8-18(11)16(19)12(2)15-9-13-5-3-4-6-14(13)20-15;/h3-6,9,11-12,17H,7-8,10H2,1-2H3;1H
InChIKeyDWKQSVCWYLHEIG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.78
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119471792) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119471792
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1C)c1cc2ccccc2o1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-10-17-7-8-18(11)16(19)12(2)15-9-13-5-3-4-6-14(13)20-15;/h3-6,9,11-12,17H,7-8,10H2,1-2H3;1H
InChIKeyDWKQSVCWYLHEIG-UHFFFAOYSA-N
XLogP2.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879558
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
3-(2-methylpiperazine-1-carbonyl)chromen-2-one
CID 62672423
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119436109
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
2-benzylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470581
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472199
3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71979463
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119471792) is 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC(C(=O)N1CCNCC1C)c1cc2ccccc2o1.Cl.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is DWKQSVCWYLHEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-11-10-17-7-8-18(11)16(19)12(2)15-9-13-5-3-4-6-14(13)20-15;/h3-6,9,11-12,17H,7-8,10H2,1-2H3;1H.
What are the key properties of 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119471792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).