2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone

C15H18N2O2 — CID 82264272

IUPAC2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
SMILESCc1c(CC(=O)N2CCNCC2)oc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11-12-4-2-3-5-13(12)19-14(11)10-15(18)17-8-6-16-7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyWTSARBZKQNXRFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.72
Rot. Bonds2

About 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone

2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82264272) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
PubChem CID82264272
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
SMILESCc1c(CC(=O)N2CCNCC2)oc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11-12-4-2-3-5-13(12)19-14(11)10-15(18)17-8-6-16-7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyWTSARBZKQNXRFM-UHFFFAOYSA-N
XLogP1.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
CID 102134690
4-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine
CID 116987162
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
CID 82509435
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70768806
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
(3-methyl-1-benzofuran-2-yl)methyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 86953805
1-ethyl-2-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111603187
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone (CID 82264272) is 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone is Cc1c(CC(=O)N2CCNCC2)oc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is WTSARBZKQNXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-12-4-2-3-5-13(12)19-14(11)10-15(18)17-8-6-16-7-9-17/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone?
2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 258.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).