N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide

C22H24N2O4 — CID 46294969

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c25-21(23-14-17-6-7-19-20(12-17)28-15-27-19)13-16-8-10-24(11-9-16)22(26)18-4-2-1-3-5-18/h1-7,12,16H,8-11,13-15H2,(H,23,25)
InChIKeyMDMMBKXQJWJYCW-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.97
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide (PubChem CID 46294969) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide
PubChem CID46294969
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c25-21(23-14-17-6-7-19-20(12-17)28-15-27-19)13-16-8-10-24(11-9-16)22(26)18-4-2-1-3-5-18/h1-7,12,16H,8-11,13-15H2,(H,23,25)
InChIKeyMDMMBKXQJWJYCW-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.97
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-(1-benzoylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide (CID 46294969) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide is O=C(CC1CCN(C(=O)c2ccccc2)CC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide?
The InChIKey is MDMMBKXQJWJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(23-14-17-6-7-19-20(12-17)28-15-27-19)13-16-8-10-24(11-9-16)22(26)18-4-2-1-3-5-18/h1-7,12,16H,8-11,13-15H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzoylpiperidin-4-yl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.97, 5 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-(1-benzoylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46294969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).