2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H26N2O3 — CID 2332755

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O3/c25-22(23-19-6-7-20-21(15-19)27-13-12-26-20)16-24-10-8-18(9-11-24)14-17-4-2-1-3-5-17/h1-7,15,18H,8-14,16H2,(H,23,25)
InChIKeyZEROMTHBTCDVRV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2332755) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2332755
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O3/c25-22(23-19-6-7-20-21(15-19)27-13-12-26-20)16-24-10-8-18(9-11-24)14-17-4-2-1-3-5-17/h1-7,15,18H,8-14,16H2,(H,23,25)
InChIKeyZEROMTHBTCDVRV-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-9810
CID 680502
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
CID 9799670
CeMMEC13
CID 110694558
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-butyl)-piperazine; hydrochloride
CID 10405775
1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine; hydrochloride
CID 10471851
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine;hydrochloride
CID 45261114
1-(2-Cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
CID 45261126
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride
CID 45264937

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2332755) is 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is ZEROMTHBTCDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(23-19-6-7-20-21(15-19)27-13-12-26-20)16-24-10-8-18(9-11-24)14-17-4-2-1-3-5-17/h1-7,15,18H,8-14,16H2,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2332755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).