2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide

C22H26N2O4 — CID 110613161

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O4/c1-26-19-8-6-17(24-9-3-2-4-10-24)15-18(19)23-22(25)14-16-5-7-20-21(13-16)28-12-11-27-20/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyKNYAVLOAZAHWCC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide (PubChem CID 110613161) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
PubChem CID110613161
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O4/c1-26-19-8-6-17(24-9-3-2-4-10-24)15-18(19)23-22(25)14-16-5-7-20-21(13-16)28-12-11-27-20/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyKNYAVLOAZAHWCC-UHFFFAOYSA-N
XLogP3.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55486530
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613190
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 31379941
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 110362026

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide (CID 110613161) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide is COc1ccc(N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide?
The InChIKey is KNYAVLOAZAHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-19-8-6-17(24-9-3-2-4-10-24)15-18(19)23-22(25)14-16-5-7-20-21(13-16)28-12-11-27-20/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110613161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).