1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C22H24N4O6 — CID 138391555

IUPAC1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@@H]2CC2c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24N4O6/c27-19-3-5-26(22(30)23-19)6-4-20(28)24-7-9-25(10-8-24)21(29)16-12-15(16)14-1-2-17-18(11-14)32-13-31-17/h1-3,5,11,15-16H,4,6-10,12-13H2,(H,23,27,30)/t15?,16-/m1/s1
InChIKeyRXJLPXXCHFEPLO-OEMAIJDKSA-N
MW440.46 g/mol
LogP0.13
Rot. Bonds5

About 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 138391555) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID138391555
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@@H]2CC2c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24N4O6/c27-19-3-5-26(22(30)23-19)6-4-20(28)24-7-9-25(10-8-24)21(29)16-12-15(16)14-1-2-17-18(11-14)32-13-31-17/h1-3,5,11,15-16H,4,6-10,12-13H2,(H,23,27,30)/t15?,16-/m1/s1
InChIKeyRXJLPXXCHFEPLO-OEMAIJDKSA-N
XLogP0.13
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione 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

1-[3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 121059970
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
[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-(2,5-dimethylbenzoyl)piperazin-1-yl]methanone
CID 164556783
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024301
(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(3-piperidin-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 70714009
1-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9392324
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166419
1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 129467345
1-[3-[4-[(3-chloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 167776694
1-[3-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90508680

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 138391555) is 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@@H]2CC2c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is RXJLPXXCHFEPLO-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H24N4O6/c27-19-3-5-26(22(30)23-19)6-4-20(28)24-7-9-25(10-8-24)21(29)16-12-15(16)14-1-2-17-18(11-14)32-13-31-17/h1-3,5,11,15-16H,4,6-10,12-13H2,(H,23,27,30)/t15?,16-/m1/s1.
What are the key properties of 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 440.46 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(1R)-2-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 138391555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).