1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide

C24H26N4O4 — CID 134011729

IUPAC1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-20-11-9-17(10-12-20)23-26-21(32-27-23)13-14-22(29)28-15-5-6-18(16-28)24(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,25,30)
InChIKeyILBFXCGOKFYLFT-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.56
Rot. Bonds7

About 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide

1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 134011729) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID134011729
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-20-11-9-17(10-12-20)23-26-21(32-27-23)13-14-22(29)28-15-5-6-18(16-28)24(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,25,30)
InChIKeyILBFXCGOKFYLFT-UHFFFAOYSA-N
XLogP3.56
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 46539168
(3S)-N-phenyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 38936169
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 43931121
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 36747424
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844
(3S)-1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 125118228
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92687613
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 1456372

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide (CID 134011729) is 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide is COc1ccc(-c2noc(CCC(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)cc1.
What is the InChIKey of 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is ILBFXCGOKFYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-20-11-9-17(10-12-20)23-26-21(32-27-23)13-14-22(29)28-15-5-6-18(16-28)24(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,25,30).
What are the key properties of 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide?
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 134011729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).