2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C20H20ClN3O4 — CID 55820715

IUPAC2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc3c2OCO3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c21-15-5-1-2-6-16(15)22-18(25)12-23-8-10-24(11-9-23)20(26)14-4-3-7-17-19(14)28-13-27-17/h1-7H,8-13H2,(H,22,25)
InChIKeyJCACFFGBECLGIR-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 55820715) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID55820715
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc3c2OCO3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c21-15-5-1-2-6-16(15)22-18(25)12-23-8-10-24(11-9-23)20(26)14-4-3-7-17-19(14)28-13-27-17/h1-7H,8-13H2,(H,22,25)
InChIKeyJCACFFGBECLGIR-UHFFFAOYSA-N
XLogP2.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55858815
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538
1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 55820715) is 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C(=O)c2cccc3c2OCO3)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JCACFFGBECLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c21-15-5-1-2-6-16(15)22-18(25)12-23-8-10-24(11-9-23)20(26)14-4-3-7-17-19(14)28-13-27-17/h1-7H,8-13H2,(H,22,25).
What are the key properties of 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 401.85 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 55820715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).