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

C21H21N3O2 — CID 50846469

IUPACphenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(18-9-5-2-6-10-18)24-13-11-16(12-14-24)15-19-22-23-20(26-19)17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChIKeyOCDGHPYEIAXGLI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds4

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

phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 50846469) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID50846469
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namephenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(18-9-5-2-6-10-18)24-13-11-16(12-14-24)15-19-22-23-20(26-19)17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChIKeyOCDGHPYEIAXGLI-UHFFFAOYSA-N
XLogP3.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 53150018
4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382261
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
(4-phenylphenyl)-[4-(1,2,4-triazol-4-ylmethyl)piperidin-1-yl]methanone
CID 136549797
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 112829928

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (CID 50846469) is phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OCDGHPYEIAXGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(18-9-5-2-6-10-18)24-13-11-16(12-14-24)15-19-22-23-20(26-19)17-7-3-1-4-8-17/h1-10,16H,11-15H2.
What are the key properties of phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50846469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).