N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide

C22H23N3O5 — CID 9223352

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccccc3)CC1)OCO2
InChIInChI=1S/C22H23N3O5/c1-15(26)17-11-19-20(30-14-29-19)12-18(17)23-21(27)13-24-7-9-25(10-8-24)22(28)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,27)
InChIKeyLEBJTSUHHKMBJC-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.01
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide (PubChem CID 9223352) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
PubChem CID9223352
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccccc3)CC1)OCO2
InChIInChI=1S/C22H23N3O5/c1-15(26)17-11-19-20(30-14-29-19)12-18(17)23-21(27)13-24-7-9-25(10-8-24)22(28)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,27)
InChIKeyLEBJTSUHHKMBJC-UHFFFAOYSA-N
XLogP2.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35229072
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 166004980
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 148712456
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 166004955
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725718
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 166004952
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
CID 167605837
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2196705
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004891
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3H-pyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 167697536
N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
CID 146379911

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide (CID 9223352) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccccc3)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The InChIKey is LEBJTSUHHKMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-15(26)17-11-19-20(30-14-29-19)12-18(17)23-21(27)13-24-7-9-25(10-8-24)22(28)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,27).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9223352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).