N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide

C25H32N2O4 — CID 10526357

IUPACN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C25H32N2O4/c1-29-22-7-3-2-6-20(22)16-25(28)26-13-10-19-11-14-27(15-12-19)17-21-18-30-23-8-4-5-9-24(23)31-21/h2-9,19,21H,10-18H2,1H3,(H,26,28)
InChIKeyBJZNBVQDZCYPGI-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.30
Rot. Bonds8

About N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide

N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 10526357) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID10526357
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C25H32N2O4/c1-29-22-7-3-2-6-20(22)16-25(28)26-13-10-19-11-14-27(15-12-19)17-21-18-30-23-8-4-5-9-24(23)31-21/h2-9,19,21H,10-18H2,1H3,(H,26,28)
InChIKeyBJZNBVQDZCYPGI-UHFFFAOYSA-N
XLogP3.30
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide (CID 10526357) is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is BJZNBVQDZCYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-29-22-7-3-2-6-20(22)16-25(28)26-13-10-19-11-14-27(15-12-19)17-21-18-30-23-8-4-5-9-24(23)31-21/h2-9,19,21H,10-18H2,1H3,(H,26,28).
What are the key properties of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 10526357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).