1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide

C25H28FN5O3 — CID 56507517

IUPAC1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(-c2noc(CCC(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)n2)ccc1F
InChIInChI=1S/C25H28FN5O3/c1-16-13-18(6-9-21(16)26)25-29-23(34-30-25)11-10-22(32)28-20-7-4-17(5-8-20)14-31-12-2-3-19(15-31)24(27)33/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H2,27,33)(H,28,32)
InChIKeyDFKVKUGHAGKZIB-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.45
Rot. Bonds8

About 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56507517) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56507517
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(-c2noc(CCC(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)n2)ccc1F
InChIInChI=1S/C25H28FN5O3/c1-16-13-18(6-9-21(16)26)25-29-23(34-30-25)11-10-22(32)28-20-7-4-17(5-8-20)14-31-12-2-3-19(15-31)24(27)33/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H2,27,33)(H,28,32)
InChIKeyDFKVKUGHAGKZIB-UHFFFAOYSA-N
XLogP3.45
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55929521
(3S)-1-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 94162950
N-[2-(aminomethyl)cyclopentyl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119604557
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
N-(3,4-difluorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930473
N-(4-butylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933384
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
CID 75404721
N-(3,4-difluorophenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931273
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356350

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide (CID 56507517) is 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide is Cc1cc(-c2noc(CCC(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)n2)ccc1F.
What is the InChIKey of 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is DFKVKUGHAGKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16-13-18(6-9-21(16)26)25-29-23(34-30-25)11-10-22(32)28-20-7-4-17(5-8-20)14-31-12-2-3-19(15-31)24(27)33/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H2,27,33)(H,28,32).
What are the key properties of 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56507517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).