N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide

C17H24N2O3 — CID 18103292

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCC2COc3ccccc3O2)C1
InChIInChI=1S/C17H24N2O3/c1-13-5-4-8-19(10-13)11-17(20)18-9-14-12-21-15-6-2-3-7-16(15)22-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyYVOPIZWGSXHSGS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 18103292) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID18103292
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCC2COc3ccccc3O2)C1
InChIInChI=1S/C17H24N2O3/c1-13-5-4-8-19(10-13)11-17(20)18-9-14-12-21-15-6-2-3-7-16(15)22-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyYVOPIZWGSXHSGS-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 124787727
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7531419
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propylamino)acetamide
CID 60687691
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24648771
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18166181
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 122135306
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124554808

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 18103292) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)NCC2COc3ccccc3O2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is YVOPIZWGSXHSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-5-4-8-19(10-13)11-17(20)18-9-14-12-21-15-6-2-3-7-16(15)22-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 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-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18103292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).