4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide

C29H28N4O3 — CID 92898459

IUPAC4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1
InChIInChI=1S/C29H28N4O3/c1-20-8-5-6-11-24(20)18-30-27(34)22-15-13-21(14-16-22)26-31-28(36-32-26)25-12-7-17-33(19-25)29(35)23-9-3-2-4-10-23/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,30,34)/t25-/m1/s1
InChIKeyJXEQDIGVWYSEOU-RUZDIDTESA-N
MW480.57 g/mol
LogP4.99
Rot. Bonds6

About 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide

4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 92898459) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
PubChem CID92898459
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1
InChIInChI=1S/C29H28N4O3/c1-20-8-5-6-11-24(20)18-30-27(34)22-15-13-21(14-16-22)26-31-28(36-32-26)25-12-7-17-33(19-25)29(35)23-9-3-2-4-10-23/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,30,34)/t25-/m1/s1
InChIKeyJXEQDIGVWYSEOU-RUZDIDTESA-N
XLogP4.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide with MolForge

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Related Compounds

(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897412
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5126087
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
1,3-benzodioxol-5-yl-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 7396220

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide (CID 92898459) is 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is JXEQDIGVWYSEOU-RUZDIDTESA-N. The full InChI is InChI=1S/C29H28N4O3/c1-20-8-5-6-11-24(20)18-30-27(34)22-15-13-21(14-16-22)26-31-28(36-32-26)25-12-7-17-33(19-25)29(35)23-9-3-2-4-10-23/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,30,34)/t25-/m1/s1.
What are the key properties of 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide?
4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 92898459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).