[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H20N2O4 — CID 113079610

IUPAC[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-16-5-2-14(3-6-16)19(22)21-10-8-20(9-11-21)15-4-7-17-18(12-15)25-13-24-17/h2-7,12H,8-11,13H2,1H3
InChIKeyXIBSEWMMEBTFGI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.39
Rot. Bonds3

About [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 113079610) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID113079610
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-16-5-2-14(3-6-16)19(22)21-10-8-20(9-11-21)15-4-7-17-18(12-15)25-13-24-17/h2-7,12H,8-11,13H2,1H3
InChIKeyXIBSEWMMEBTFGI-UHFFFAOYSA-N
XLogP2.39
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113079614
(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 100603810
1,3-benzodioxol-5-yl-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077448
1,3-benzodioxol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601287
1,3-benzodioxol-5-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 16809099
(4-chlorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]methanone
CID 110363916
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902018
2-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350309
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752
3-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]benzoate
CID 2051749
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 113079610) is [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XIBSEWMMEBTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-5-2-14(3-6-16)19(22)21-10-8-20(9-11-21)15-4-7-17-18(12-15)25-13-24-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 340.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 113079610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).