N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide

C23H25BrN4O2 — CID 55738316

IUPACN-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1
InChIInChI=1S/C23H25BrN4O2/c24-19-8-4-7-18(15-19)23-26-22(30-27-23)16-28-13-11-20(12-14-28)25-21(29)10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H,25,29)
InChIKeyHKNDIKVTBDMJIM-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.21
Rot. Bonds7

About N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738316) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738316
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC NameN-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1
InChIInChI=1S/C23H25BrN4O2/c24-19-8-4-7-18(15-19)23-26-22(30-27-23)16-28-13-11-20(12-14-28)25-21(29)10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H,25,29)
InChIKeyHKNDIKVTBDMJIM-UHFFFAOYSA-N
XLogP4.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 38146443
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-tert-butylpiperidine-4-carboxamide
CID 38145803
N-(2-benzylbutyl)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927292
[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 38146026
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38145900
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 38146054
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 38146004

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738316) is N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1.
What is the InChIKey of N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is HKNDIKVTBDMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c24-19-8-4-7-18(15-19)23-26-22(30-27-23)16-28-13-11-20(12-14-28)25-21(29)10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H,25,29).
What are the key properties of N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 469.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).