2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide

C21H23N3O4 — CID 2812949

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-20(22-16-6-2-1-3-7-16)14-23-10-12-24(13-11-23)21(26)19-15-27-17-8-4-5-9-18(17)28-19/h1-9,19H,10-15H2,(H,22,25)
InChIKeyBBIZIAHJIDBTQR-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 2812949) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID2812949
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-20(22-16-6-2-1-3-7-16)14-23-10-12-24(13-11-23)21(26)19-15-27-17-8-4-5-9-18(17)28-19/h1-9,19H,10-15H2,(H,22,25)
InChIKeyBBIZIAHJIDBTQR-UHFFFAOYSA-N
XLogP1.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Spiroxatrine
CID 5268
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2997972
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-phenyl-urea
CID 10834528
N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788331
N-(2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788380
N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788384
2-Methyl-4-(2-oxo-2-piperidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3224947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 2812949) is 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is BBIZIAHJIDBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-20(22-16-6-2-1-3-7-16)14-23-10-12-24(13-11-23)21(26)19-15-27-17-8-4-5-9-18(17)28-19/h1-9,19H,10-15H2,(H,22,25).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 381.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2812949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).