1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one

C22H28N2O3 — CID 130281541

IUPAC1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
SMILESCC(C)c1ccc2oc(C(=O)N3CCN(C4CCCCC4)C(=O)C3)cc2c1
InChIInChI=1S/C22H28N2O3/c1-15(2)16-8-9-19-17(12-16)13-20(27-19)22(26)23-10-11-24(21(25)14-23)18-6-4-3-5-7-18/h8-9,12-13,15,18H,3-7,10-11,14H2,1-2H3
InChIKeyYINQGLPOLHDMHV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.17
Rot. Bonds3

About 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one

1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one (PubChem CID 130281541) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
PubChem CID130281541
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
SMILESCC(C)c1ccc2oc(C(=O)N3CCN(C4CCCCC4)C(=O)C3)cc2c1
InChIInChI=1S/C22H28N2O3/c1-15(2)16-8-9-19-17(12-16)13-20(27-19)22(26)23-10-11-24(21(25)14-23)18-6-4-3-5-7-18/h8-9,12-13,15,18H,3-7,10-11,14H2,1-2H3
InChIKeyYINQGLPOLHDMHV-UHFFFAOYSA-N
XLogP4.17
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932569
4-(5-amino-1-benzofuran-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888084
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 118262819
4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72899029
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139011962
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119071281
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 118763819

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one (CID 130281541) is 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one is CC(C)c1ccc2oc(C(=O)N3CCN(C4CCCCC4)C(=O)C3)cc2c1.
What is the InChIKey of 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one?
The InChIKey is YINQGLPOLHDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)16-8-9-19-17(12-16)13-20(27-19)22(26)23-10-11-24(21(25)14-23)18-6-4-3-5-7-18/h8-9,12-13,15,18H,3-7,10-11,14H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one?
1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one has a molecular weight of 368.48 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 130281541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).