N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide

C17H22N4O2 — CID 131910308

IUPACN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCc1nnc(CN2CCC(CNC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C17H22N4O2/c1-13-19-20-16(23-13)12-21-9-7-14(8-10-21)11-18-17(22)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,18,22)
InChIKeyITEGFTXPJJQITA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.02
Rot. Bonds5

About N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide

N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 131910308) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID131910308
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCc1nnc(CN2CCC(CNC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C17H22N4O2/c1-13-19-20-16(23-13)12-21-9-7-14(8-10-21)11-18-17(22)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,18,22)
InChIKeyITEGFTXPJJQITA-UHFFFAOYSA-N
XLogP2.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide (CID 131910308) is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide is Cc1nnc(CN2CCC(CNC(=O)c3ccccc3)CC2)o1.
What is the InChIKey of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is ITEGFTXPJJQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-19-20-16(23-13)12-21-9-7-14(8-10-21)11-18-17(22)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,18,22).
What are the key properties of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 131910308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).