[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone

C18H24N2O4 — CID 56808536

IUPAC[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H24N2O4/c21-18(17-13-22-9-10-24-17)20-6-4-19(5-7-20)12-14-1-2-16-15(11-14)3-8-23-16/h1-2,11,17H,3-10,12-13H2
InChIKeyCMWAUUKDRSFKCU-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.68
Rot. Bonds3

About [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone

[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 56808536) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID56808536
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H24N2O4/c21-18(17-13-22-9-10-24-17)20-6-4-19(5-7-20)12-14-1-2-16-15(11-14)3-8-23-16/h1-2,11,17H,3-10,12-13H2
InChIKeyCMWAUUKDRSFKCU-UHFFFAOYSA-N
XLogP0.68
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 16191022
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone
CID 2928665
1-[4-[(4-Ethoxyphenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 127027544
Acetamide, 2-((4-allyl-6-methoxy-alpha-morpholino-o-tolyl)oxy)-N,N-diethyl-
CID 121299
[4-(2,3-Dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 56820446
2-(2-Methoxyethoxy)-1-{7-[(1,2,3,4-tetrahydroisoquinolin-2-YL)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-YL}ethan-1-one
CID 91912131
(4aS,9aS)-4-benzyl-7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134805873
(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-6-(oxan-4-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775082
(4aR,7aS)-4-[(4-methoxyphenyl)methyl]-6-(2-phenoxyacetyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775299
N-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide
CID 91920963
2-(4-Methylphenoxy)-1-{7-[(morpholin-4-YL)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-YL}ethan-1-one
CID 124079193
1-[7-(diethylaminomethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 124079197

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone (CID 56808536) is [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone is O=C(C1COCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is CMWAUUKDRSFKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-18(17-13-22-9-10-24-17)20-6-4-19(5-7-20)12-14-1-2-16-15(11-14)3-8-23-16/h1-2,11,17H,3-10,12-13H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 56808536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).