N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C22H26N4O3 — CID 45178160

IUPACN-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc4nonc4c3)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-28-19-7-4-16(5-8-19)12-22(27)23-13-18-3-2-10-26(15-18)14-17-6-9-20-21(11-17)25-29-24-20/h4-9,11,18H,2-3,10,12-15H2,1H3,(H,23,27)
InChIKeyIUBXJBJRYZIMKC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.80
Rot. Bonds7

About N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 45178160) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID45178160
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc4nonc4c3)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-28-19-7-4-16(5-8-19)12-22(27)23-13-18-3-2-10-26(15-18)14-17-6-9-20-21(11-17)25-29-24-20/h4-9,11,18H,2-3,10,12-15H2,1H3,(H,23,27)
InChIKeyIUBXJBJRYZIMKC-UHFFFAOYSA-N
XLogP2.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 45178160) is N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3ccc4nonc4c3)C2)cc1.
What is the InChIKey of N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IUBXJBJRYZIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-19-7-4-16(5-8-19)12-22(27)23-13-18-3-2-10-26(15-18)14-17-6-9-20-21(11-17)25-29-24-20/h4-9,11,18H,2-3,10,12-15H2,1H3,(H,23,27).
What are the key properties of N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 45178160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).