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

C20H24N4O3 — CID 90641413

IUPACN-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18(12-21-20(26)16-6-2-1-3-7-16)24-10-4-5-14(13-24)11-17-22-19(23-27-17)15-8-9-15/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,26)
InChIKeyIGHKQOORAQQBQA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.16
Rot. Bonds6

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

N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 90641413) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID90641413
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18(12-21-20(26)16-6-2-1-3-7-16)24-10-4-5-14(13-24)11-17-22-19(23-27-17)15-8-9-15/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,26)
InChIKeyIGHKQOORAQQBQA-UHFFFAOYSA-N
XLogP2.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]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-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 90641413) is N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)c1ccccc1.
What is the InChIKey of N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is IGHKQOORAQQBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18(12-21-20(26)16-6-2-1-3-7-16)24-10-4-5-14(13-24)11-17-22-19(23-27-17)15-8-9-15/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,26).
What are the key properties of N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90641413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).