azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

C20H26N4O2 — CID 53166848

IUPACazepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCCCCC1
InChIInChI=1S/C20H26N4O2/c25-19(23-12-6-1-2-7-13-23)17-10-14-24(15-11-17)20-22-21-18(26-20)16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15H2
InChIKeyGBWYNMLJGCSIPP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds3

About azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 53166848) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID53166848
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Nameazepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCCCCC1
InChIInChI=1S/C20H26N4O2/c25-19(23-12-6-1-2-7-13-23)17-10-14-24(15-11-17)20-22-21-18(26-20)16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15H2
InChIKeyGBWYNMLJGCSIPP-UHFFFAOYSA-N
XLogP3.36
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53166928
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166857
N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 69185358

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (CID 53166848) is azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is GBWYNMLJGCSIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(23-12-6-1-2-7-13-23)17-10-14-24(15-11-17)20-22-21-18(26-20)16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15H2.
What are the key properties of azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53166848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).