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

C24H25FN4O3 — CID 95092407

IUPACN-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-2-21(30)26-20-10-4-7-17(14-20)23-27-24(32-28-23)18-8-5-11-29(15-18)22(31)13-16-6-3-9-19(25)12-16/h3-4,6-7,9-10,12,14,18H,2,5,8,11,13,15H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyDUBBVDQJORECPV-SFHVURJKSA-N
MW436.49 g/mol
LogP4.17
Rot. Bonds6

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

N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 95092407) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID95092407
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-2-21(30)26-20-10-4-7-17(14-20)23-27-24(32-28-23)18-8-5-11-29(15-18)22(31)13-16-6-3-9-19(25)12-16/h3-4,6-7,9-10,12,14,18H,2,5,8,11,13,15H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyDUBBVDQJORECPV-SFHVURJKSA-N
XLogP4.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
N-[3-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53011876
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-[(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-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
N-[3-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130324
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
2-(3-methoxyphenyl)-1-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 1454443
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 95092407) is N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1.
What is the InChIKey of N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is DUBBVDQJORECPV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-2-21(30)26-20-10-4-7-17(14-20)23-27-24(32-28-23)18-8-5-11-29(15-18)22(31)13-16-6-3-9-19(25)12-16/h3-4,6-7,9-10,12,14,18H,2,5,8,11,13,15H2,1H3,(H,26,30)/t18-/m0/s1.
What are the key properties of N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 436.49 g/mol, XLogP of 4.17, 6 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-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 95092407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).