[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

C22H24N2O3 — CID 113198662

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H24N2O3/c25-21(24-12-10-23(11-13-24)18-4-2-1-3-5-18)22(8-9-22)17-6-7-19-20(16-17)27-15-14-26-19/h1-7,16H,8-15H2
InChIKeyRICLUNLYAALEJD-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.84
Rot. Bonds3

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 113198662) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID113198662
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H24N2O3/c25-21(24-12-10-23(11-13-24)18-4-2-1-3-5-18)22(8-9-22)17-6-7-19-20(16-17)27-15-14-26-19/h1-7,16H,8-15H2
InChIKeyRICLUNLYAALEJD-UHFFFAOYSA-N
XLogP2.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 113198678
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 46483094
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]methanone
CID 33368738
4-[4-[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 67478395
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 36676092
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 113198662) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RICLUNLYAALEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(24-12-10-23(11-13-24)18-4-2-1-3-5-18)22(8-9-22)17-6-7-19-20(16-17)27-15-14-26-19/h1-7,16H,8-15H2.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 113198662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).