N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C24H26N4O3 — CID 92897565

IUPACN-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4C)C3)n2)c1
InChIInChI=1S/C24H26N4O3/c1-3-21(29)25-19-11-6-9-17(14-19)22-26-23(31-27-22)18-10-7-13-28(15-18)24(30)20-12-5-4-8-16(20)2/h4-6,8-9,11-12,14,18H,3,7,10,13,15H2,1-2H3,(H,25,29)/t18-/m0/s1
InChIKeyYGJNCEXLUFNYLT-SFHVURJKSA-N
MW418.50 g/mol
LogP4.41
Rot. Bonds5

About N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 92897565) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID92897565
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4C)C3)n2)c1
InChIInChI=1S/C24H26N4O3/c1-3-21(29)25-19-11-6-9-17(14-19)22-26-23(31-27-22)18-10-7-13-28(15-18)24(30)20-12-5-4-8-16(20)2/h4-6,8-9,11-12,14,18H,3,7,10,13,15H2,1-2H3,(H,25,29)/t18-/m0/s1
InChIKeyYGJNCEXLUFNYLT-SFHVURJKSA-N
XLogP4.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897581
N-[3-[5-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835826
N-[3-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53011876
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
N-[3-[5-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897567
N-[3-[5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897596
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 1456514
N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 95092407
N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897619
N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130343

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 92897565) is N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4C)C3)n2)c1.
What is the InChIKey of N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is YGJNCEXLUFNYLT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-21(29)25-19-11-6-9-17(14-19)22-26-23(31-27-22)18-10-7-13-28(15-18)24(30)20-12-5-4-8-16(20)2/h4-6,8-9,11-12,14,18H,3,7,10,13,15H2,1-2H3,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 418.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 92897565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).