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

C23H24N4O3 — CID 92897609

IUPACN-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C23H24N4O3/c1-2-20(28)24-19-12-6-10-17(14-19)21-25-22(30-26-21)18-11-7-13-27(15-18)23(29)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,2,7,11,13,15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyHHBGJMNYAPJBME-SFHVURJKSA-N
MW404.47 g/mol
LogP4.10
Rot. Bonds5

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

N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 92897609) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID92897609
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C23H24N4O3/c1-2-20(28)24-19-12-6-10-17(14-19)21-25-22(30-26-21)18-11-7-13-27(15-18)23(29)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,2,7,11,13,15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyHHBGJMNYAPJBME-SFHVURJKSA-N
XLogP4.10
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897567
N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897565
N-[3-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53011876
N-[3-[5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
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-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897596
N-[3-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130324
N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130343
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
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 92897609) is N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1.
What is the InChIKey of N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is HHBGJMNYAPJBME-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-20(28)24-19-12-6-10-17(14-19)21-25-22(30-26-21)18-11-7-13-27(15-18)23(29)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,2,7,11,13,15H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 4.10, 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-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 92897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).