[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H22N2O3 — CID 56894959

IUPAC[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc3occc3c2)CC1
InChIInChI=1S/C21H22N2O3/c1-25-20-5-3-2-4-18(20)21(24)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-26-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCIQDYDIPPNPEHT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.40
Rot. Bonds4

About [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 56894959) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID56894959
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc3occc3c2)CC1
InChIInChI=1S/C21H22N2O3/c1-25-20-5-3-2-4-18(20)21(24)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-26-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCIQDYDIPPNPEHT-UHFFFAOYSA-N
XLogP3.40
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
(2,3-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366104
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 17421616
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 19325526
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 56894959) is [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(Cc2ccc3occc3c2)CC1.
What is the InChIKey of [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CIQDYDIPPNPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-20-5-3-2-4-18(20)21(24)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-26-19/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 56894959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).