1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C21H28N2O3 — CID 110801124

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H28N2O3/c24-20(15-16-6-7-19-18(14-16)8-13-26-19)22-9-11-23(12-10-22)21(25)17-4-2-1-3-5-17/h6-7,14,17H,1-5,8-13,15H2
InChIKeyVDMOUSSBXGNXHY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 110801124) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID110801124
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H28N2O3/c24-20(15-16-6-7-19-18(14-16)8-13-26-19)22-9-11-23(12-10-22)21(25)17-4-2-1-3-5-17/h6-7,14,17H,1-5,8-13,15H2
InChIKeyVDMOUSSBXGNXHY-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110807578
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806404
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816888
1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55882453
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 110801707
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 94249722
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56810760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 110801124) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is VDMOUSSBXGNXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(15-16-6-7-19-18(14-16)8-13-26-19)22-9-11-23(12-10-22)21(25)17-4-2-1-3-5-17/h6-7,14,17H,1-5,8-13,15H2.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 110801124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).