2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C21H23N3O4 — CID 1443738

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)24-10-8-23(9-11-24)13-21(26)22-17-4-7-19-20(12-17)28-14-27-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyNDSROWUBXABBPK-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 1443738) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID1443738
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)24-10-8-23(9-11-24)13-21(26)22-17-4-7-19-20(12-17)28-14-27-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyNDSROWUBXABBPK-UHFFFAOYSA-N
XLogP2.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 8007888
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 7243136
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 8591573
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 1443738) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is NDSROWUBXABBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)24-10-8-23(9-11-24)13-21(26)22-17-4-7-19-20(12-17)28-14-27-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,26).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 1443738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).