[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone

C21H26N4O3 — CID 50806800

IUPAC[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)16-5-7-17(8-6-16)20(26)25-13-9-18(10-14-25)21(27)24-11-3-2-4-12-24/h5-8,18H,2-4,9-14H2,1H3
InChIKeyBRXWUAMQRGSLEE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.91
Rot. Bonds3

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

[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 50806800) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID50806800
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)16-5-7-17(8-6-16)20(26)25-13-9-18(10-14-25)21(27)24-11-3-2-4-12-24/h5-8,18H,2-4,9-14H2,1H3
InChIKeyBRXWUAMQRGSLEE-UHFFFAOYSA-N
XLogP2.91
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 50767346
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 50806800) is [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2)no1.
What is the InChIKey of [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is BRXWUAMQRGSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)16-5-7-17(8-6-16)20(26)25-13-9-18(10-14-25)21(27)24-11-3-2-4-12-24/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 382.46 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50806800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).