4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide

C20H21N3O4 — CID 113114155

IUPAC4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)15-3-2-4-17(11-15)22-7-9-23(10-8-22)20(25)21-16-5-6-18-19(12-16)27-13-26-18/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)
InChIKeyTZKVGIPXFSHZHQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.97
Rot. Bonds3

About 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide

4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide (PubChem CID 113114155) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
PubChem CID113114155
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)15-3-2-4-17(11-15)22-7-9-23(10-8-22)20(25)21-16-5-6-18-19(12-16)27-13-26-18/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)
InChIKeyTZKVGIPXFSHZHQ-UHFFFAOYSA-N
XLogP2.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111704
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
4-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 113113297
N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
N-(1,3-benzodioxol-5-yl)-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 51301743
4-(1,3-benzodioxol-5-yl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 113111952
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1443738
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide (CID 113114155) is 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide is CC(=O)c1cccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide?
The InChIKey is TZKVGIPXFSHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)15-3-2-4-17(11-15)22-7-9-23(10-8-22)20(25)21-16-5-6-18-19(12-16)27-13-26-18/h2-6,11-12H,7-10,13H2,1H3,(H,21,25).
What are the key properties of 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide?
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113114155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).