N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide

C16H22N2O3 — CID 2999501

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-12-4-2-3-7-18(12)10-16(19)17-9-13-5-6-14-15(8-13)21-11-20-14/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,17,19)
InChIKeyJJYZSKBGDRSDGJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 2999501) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID2999501
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-12-4-2-3-7-18(12)10-16(19)17-9-13-5-6-14-15(8-13)21-11-20-14/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,17,19)
InChIKeyJJYZSKBGDRSDGJ-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide (CID 2999501) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is JJYZSKBGDRSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-2-3-7-18(12)10-16(19)17-9-13-5-6-14-15(8-13)21-11-20-14/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2999501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).