[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone

C24H26N2O4 — CID 164556783

IUPAC[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C24H26N2O4/c1-15-3-4-16(2)18(11-15)23(27)25-7-9-26(10-8-25)24(28)20-13-19(20)17-5-6-21-22(12-17)30-14-29-21/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3
InChIKeyODCQOPBIEZWDAZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.12
Rot. Bonds3

About [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone

[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 164556783) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone
PubChem CID164556783
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C24H26N2O4/c1-15-3-4-16(2)18(11-15)23(27)25-7-9-26(10-8-25)24(28)20-13-19(20)17-5-6-21-22(12-17)30-14-29-21/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3
InChIKeyODCQOPBIEZWDAZ-UHFFFAOYSA-N
XLogP3.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]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

[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(4-methyl-2,3-dihydrothiadiazole-5-carbonyl)piperazin-1-yl]methanone
CID 164556713
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone
CID 170230570
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166419
2-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120549237
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 138391555
1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 129467345
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
[(3S)-4-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 143257584

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone (CID 164556783) is [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is ODCQOPBIEZWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15-3-4-16(2)18(11-15)23(27)25-7-9-26(10-8-25)24(28)20-13-19(20)17-5-6-21-22(12-17)30-14-29-21/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3.
What are the key properties of [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone?
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 406.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 164556783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).