1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde

C15H16BrN3O2 — CID 62654115

IUPAC1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C15H16BrN3O2/c16-13-3-1-12(2-4-13)15-18-17-14(21-15)9-19-7-5-11(10-20)6-8-19/h1-4,10-11H,5-9H2
InChIKeyFZACIQYCEGCRGR-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.91
Rot. Bonds4

About 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde (PubChem CID 62654115) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde
PubChem CID62654115
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C15H16BrN3O2/c16-13-3-1-12(2-4-13)15-18-17-14(21-15)9-19-7-5-11(10-20)6-8-19/h1-4,10-11H,5-9H2
InChIKeyFZACIQYCEGCRGR-UHFFFAOYSA-N
XLogP2.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 18087170
[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79993305
2-[4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78829218
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
4-[5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 111487995
1-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815838
2-(4-bromophenyl)-5-[[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97236232
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde (CID 62654115) is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde is O=CC1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde?
The InChIKey is FZACIQYCEGCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-13-3-1-12(2-4-13)15-18-17-14(21-15)9-19-7-5-11(10-20)6-8-19/h1-4,10-11H,5-9H2.
What are the key properties of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde?
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde has a molecular weight of 350.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 62654115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).