(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone

C25H24N2O3 — CID 21413142

IUPAC(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1Oc2ccccc2OC1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N2O3/c28-25(27-17-15-26(16-18-27)20-11-5-2-6-12-20)24-23(19-9-3-1-4-10-19)29-21-13-7-8-14-22(21)30-24/h1-14,23-24H,15-18H2
InChIKeyGBPUWANOYFWVRM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.92
Rot. Bonds3

About (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone

(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 21413142) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID21413142
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1Oc2ccccc2OC1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N2O3/c28-25(27-17-15-26(16-18-27)20-11-5-2-6-12-20)24-23(19-9-3-1-4-10-19)29-21-13-7-8-14-22(21)30-24/h1-14,23-24H,15-18H2
InChIKeyGBPUWANOYFWVRM-UHFFFAOYSA-N
XLogP3.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 755163
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 75402421
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
sodium 2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 23688231
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
(1R,2R,3S,4R)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716964
(1S,2R,3R,4S)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98266915
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777489
(2S)-2-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 25346949
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
[(2S,3R,4S,5S,6S)-2,3,5-triacetyloxy-6-(4-phenylpiperazine-1-carbonyl)oxan-4-yl] acetate
CID 138521005

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 21413142) is (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(C1Oc2ccccc2OC1c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is GBPUWANOYFWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-25(27-17-15-26(16-18-27)20-11-5-2-6-12-20)24-23(19-9-3-1-4-10-19)29-21-13-7-8-14-22(21)30-24/h1-14,23-24H,15-18H2.
What are the key properties of (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 21413142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).