(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C17H24N2O3 — CID 162486514

IUPAC(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(C)C)CC2)c2c1OCCO2
InChIInChI=1S/C17H24N2O3/c1-12(2)18-6-8-19(9-7-18)17(20)14-5-4-13(3)15-16(14)22-11-10-21-15/h4-5,12H,6-11H2,1-3H3
InChIKeyVZZAKFJHKBATRX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.93
Rot. Bonds2

About (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 162486514) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID162486514
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(C)C)CC2)c2c1OCCO2
InChIInChI=1S/C17H24N2O3/c1-12(2)18-6-8-19(9-7-18)17(20)14-5-4-13(3)15-16(14)22-11-10-21-15/h4-5,12H,6-11H2,1-3H3
InChIKeyVZZAKFJHKBATRX-UHFFFAOYSA-N
XLogP1.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 162486514) is (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c2c1OCCO2.
What is the InChIKey of (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is VZZAKFJHKBATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)18-6-8-19(9-7-18)17(20)14-5-4-13(3)15-16(14)22-11-10-21-15/h4-5,12H,6-11H2,1-3H3.
What are the key properties of (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 162486514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).