2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one

C16H22N2O3 — CID 95491466

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-16(2,15(19)18-7-5-17-6-8-18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11,17H,5-10H2,1-2H3
InChIKeyZRKDFAYGRPEPRB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.17
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 95491466) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID95491466
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-16(2,15(19)18-7-5-17-6-8-18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11,17H,5-10H2,1-2H3
InChIKeyZRKDFAYGRPEPRB-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 99283424
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 166210046
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 113197943
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
1-(1,4-diazepan-1-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 94699665
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803405
2-(1,3-benzodioxol-5-yl)-2-(1,4-diazepan-1-yl)propanamide
CID 60997169
but-2-enyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate
CID 76878419
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-piperazin-1-ylpropan-1-one
CID 81465641
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one (CID 95491466) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one is CC(C)(C(=O)N1CCNCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is ZRKDFAYGRPEPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,15(19)18-7-5-17-6-8-18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11,17H,5-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 95491466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).