(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

C20H26N2O3 — CID 70720743

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN(C4CCOCC4)CC3)oc2c1
InChIInChI=1S/C20H26N2O3/c1-14-3-4-17-15(2)19(25-18(17)13-14)20(23)22-9-7-21(8-10-22)16-5-11-24-12-6-16/h3-4,13,16H,5-12H2,1-2H3
InChIKeyALYMOQWDNWWULX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.99
Rot. Bonds2

About (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 70720743) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID70720743
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN(C4CCOCC4)CC3)oc2c1
InChIInChI=1S/C20H26N2O3/c1-14-3-4-17-15(2)19(25-18(17)13-14)20(23)22-9-7-21(8-10-22)16-5-11-24-12-6-16/h3-4,13,16H,5-12H2,1-2H3
InChIKeyALYMOQWDNWWULX-UHFFFAOYSA-N
XLogP2.99
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,6-dimethyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 50971207
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
CID 70737776
(3,6-dimethyl-1-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 50956134
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 171910424
3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26396661
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(1R,5S)-3-(3,6-dimethyl-1-benzofuran-2-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133113638
(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
CID 46299680
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948304
6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 70713832

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 70720743) is (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is Cc1ccc2c(C)c(C(=O)N3CCN(C4CCOCC4)CC3)oc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is ALYMOQWDNWWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-3-4-17-15(2)19(25-18(17)13-14)20(23)22-9-7-21(8-10-22)16-5-11-24-12-6-16/h3-4,13,16H,5-12H2,1-2H3.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70720743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).