N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H24FN5O2 — CID 86868747

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(-c2noc(CCC(=O)NC3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F
InChIInChI=1S/C24H24FN5O2/c1-16-14-18(4-7-21(16)25)24-28-23(32-29-24)9-8-22(31)27-19-10-12-30(13-11-19)20-5-2-17(15-26)3-6-20/h2-7,14,19H,8-13H2,1H3,(H,27,31)
InChIKeyGEKVZCHTUFJYPI-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 86868747) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID86868747
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(-c2noc(CCC(=O)NC3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F
InChIInChI=1S/C24H24FN5O2/c1-16-14-18(4-7-21(16)25)24-28-23(32-29-24)9-8-22(31)27-19-10-12-30(13-11-19)20-5-2-17(15-26)3-6-20/h2-7,14,19H,8-13H2,1H3,(H,27,31)
InChIKeyGEKVZCHTUFJYPI-UHFFFAOYSA-N
XLogP3.77
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]propanamide
CID 55960365
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)propanamide
CID 155947117
N-[2-(aminomethyl)cyclopentyl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119604557
2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid
CID 119213412
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
CID 146154133
1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356350
N-(3-aminopropyl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 86868641
N-[1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55929702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 86868747) is N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1cc(-c2noc(CCC(=O)NC3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GEKVZCHTUFJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-14-18(4-7-21(16)25)24-28-23(32-29-24)9-8-22(31)27-19-10-12-30(13-11-19)20-5-2-17(15-26)3-6-20/h2-7,14,19H,8-13H2,1H3,(H,27,31).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 433.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 86868747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).