N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide

C22H26N2O3 — CID 3240990

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-16-6-5-11-24(15-16)21(17-7-3-2-4-8-17)22(25)23-18-9-10-19-20(14-18)27-13-12-26-19/h2-4,7-10,14,16,21H,5-6,11-13,15H2,1H3,(H,23,25)
InChIKeyZPVUAOURUGLWNO-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.87
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide (PubChem CID 3240990) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
PubChem CID3240990
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-16-6-5-11-24(15-16)21(17-7-3-2-4-8-17)22(25)23-18-9-10-19-20(14-18)27-13-12-26-19/h2-4,7-10,14,16,21H,5-6,11-13,15H2,1H3,(H,23,25)
InChIKeyZPVUAOURUGLWNO-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide (CID 3240990) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide is CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide?
The InChIKey is ZPVUAOURUGLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-6-5-11-24(15-16)21(17-7-3-2-4-8-17)22(25)23-18-9-10-19-20(14-18)27-13-12-26-19/h2-4,7-10,14,16,21H,5-6,11-13,15H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide has a molecular weight of 366.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 3240990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).