1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

C16H19ClN2O2 — CID 114725938

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C16H19ClN2O2/c1-18-6-7-19(2)12(10-18)9-14(20)15-8-11-4-3-5-13(17)16(11)21-15/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyVIRYZSNOXUOJJO-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.90
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 114725938) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID114725938
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C16H19ClN2O2/c1-18-6-7-19(2)12(10-18)9-14(20)15-8-11-4-3-5-13(17)16(11)21-15/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyVIRYZSNOXUOJJO-UHFFFAOYSA-N
XLogP2.90
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 114727163
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114726954
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114642034
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
methyl 3-[(7-chloro-1-benzofuran-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71858940
7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide
CID 167925354

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (CID 114725938) is 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(CC(=O)c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is VIRYZSNOXUOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-18-6-7-19(2)12(10-18)9-14(20)15-8-11-4-3-5-13(17)16(11)21-15/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 306.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 114725938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).