2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone

C21H25N3O3 — CID 110815795

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)c(C)[nH]1
InChIInChI=1S/C21H25N3O3/c1-14-11-18(15(2)22-14)21(26)24-8-6-23(7-9-24)20(25)13-16-3-4-19-17(12-16)5-10-27-19/h3-4,11-12,22H,5-10,13H2,1-2H3
InChIKeyVONVNMHCILIGER-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.09
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110815795) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110815795
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)c(C)[nH]1
InChIInChI=1S/C21H25N3O3/c1-14-11-18(15(2)22-14)21(26)24-8-6-23(7-9-24)20(25)13-16-3-4-19-17(12-16)5-10-27-19/h3-4,11-12,22H,5-10,13H2,1-2H3
InChIKeyVONVNMHCILIGER-UHFFFAOYSA-N
XLogP2.09
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806404
ethyl 4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]piperazine-1-carboxylate
CID 110771148
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814649
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816888
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586442
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110774399
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 110809743
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815539
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110815788
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110809795

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone (CID 110815795) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)c(C)[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VONVNMHCILIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-11-18(15(2)22-14)21(26)24-8-6-23(7-9-24)20(25)13-16-3-4-19-17(12-16)5-10-27-19/h3-4,11-12,22H,5-10,13H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110815795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).