1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one

C20H17ClN2O3 — CID 70785542

IUPAC1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
SMILESCc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)C(=O)C3)oc12
InChIInChI=1S/C20H17ClN2O3/c1-13-4-2-5-14-10-17(26-19(13)14)20(25)22-8-9-23(18(24)12-22)16-7-3-6-15(21)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyWIJPOYYKYKWKQF-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.88
Rot. Bonds2

About 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one

1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one (PubChem CID 70785542) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
PubChem CID70785542
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
SMILESCc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)C(=O)C3)oc12
InChIInChI=1S/C20H17ClN2O3/c1-13-4-2-5-14-10-17(26-19(13)14)20(25)22-8-9-23(18(24)12-22)16-7-3-6-15(21)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyWIJPOYYKYKWKQF-UHFFFAOYSA-N
XLogP3.88
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
CID 70774451
3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
CID 1221111
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 56861916
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
CID 70720509
[3-(methylamino)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119492910
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one (CID 70785542) is 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one is Cc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)C(=O)C3)oc12.
What is the InChIKey of 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one?
The InChIKey is WIJPOYYKYKWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-4-2-5-14-10-17(26-19(13)14)20(25)22-8-9-23(18(24)12-22)16-7-3-6-15(21)11-16/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one?
1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one has a molecular weight of 368.82 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 70785542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).