4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one

C19H18N2O4 — CID 24716700

IUPAC4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-13-18(22)21(15-5-3-2-4-6-15)10-9-20(13)19(23)14-7-8-16-17(11-14)25-12-24-16/h2-8,11,13H,9-10,12H2,1H3
InChIKeyVENJRIPUPDPJOO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.29
Rot. Bonds2

About 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one

4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one (PubChem CID 24716700) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one
PubChem CID24716700
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-13-18(22)21(15-5-3-2-4-6-15)10-9-20(13)19(23)14-7-8-16-17(11-14)25-12-24-16/h2-8,11,13H,9-10,12H2,1H3
InChIKeyVENJRIPUPDPJOO-UHFFFAOYSA-N
XLogP2.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxole-5-carbonyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036244
1-(1,3-benzodioxol-5-yl)-4-(3-bromobenzoyl)-3-methylpiperazin-2-one
CID 46155649
1-(1,3-benzodioxol-5-yl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 46036109
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3S)-1-(1,3-benzodioxol-5-yl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93322496
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
(3R)-4-benzoyl-1-(3-chloro-4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322159
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one?
The IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one (CID 24716700) is 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one is CC1C(=O)N(c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one?
The InChIKey is VENJRIPUPDPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-18(22)21(15-5-3-2-4-6-15)10-9-20(13)19(23)14-7-8-16-17(11-14)25-12-24-16/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one?
4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one has a molecular weight of 338.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one is sourced from PubChem (CID 24716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).