1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone

C24H32N2O3 — CID 55566568

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)c2cc1C(C)C
InChIInChI=1S/C24H32N2O3/c1-16(2)20-14-21-19(15-29-22(21)12-17(20)3)13-23(27)25-8-10-26(11-9-25)24(28)18-6-4-5-7-18/h12,14-16,18H,4-11,13H2,1-3H3
InChIKeyDNEURPORAMTLRE-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.27
Rot. Bonds4

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone (PubChem CID 55566568) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
PubChem CID55566568
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)c2cc1C(C)C
InChIInChI=1S/C24H32N2O3/c1-16(2)20-14-21-19(15-29-22(21)12-17(20)3)13-23(27)25-8-10-26(11-9-25)24(28)18-6-4-5-7-18/h12,14-16,18H,4-11,13H2,1-3H3
InChIKeyDNEURPORAMTLRE-UHFFFAOYSA-N
XLogP4.27
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone with MolForge

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Related Compounds

1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 56537953
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 60607197
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3924611
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 51152741
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 52760830
1-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 99783135
2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 119248557
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55339010
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510652
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-piperidin-3-ylacetamide
CID 119424316
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone (CID 55566568) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone is Cc1cc2occ(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)c2cc1C(C)C.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The InChIKey is DNEURPORAMTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-16(2)20-14-21-19(15-29-22(21)12-17(20)3)13-23(27)25-8-10-26(11-9-25)24(28)18-6-4-5-7-18/h12,14-16,18H,4-11,13H2,1-3H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone has a molecular weight of 396.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 55566568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).