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

C24H26N6O2 — CID 42935584

IUPACN-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(CN3CCN(C(C)C(=O)Nc4ccc(C#N)cc4)CC3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-17-3-7-20(8-4-17)23-27-22(32-28-23)16-29-11-13-30(14-12-29)18(2)24(31)26-21-9-5-19(15-25)6-10-21/h3-10,18H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyBEEFAPUIDZGBQX-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.06
Rot. Bonds6

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

N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 42935584) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
PubChem CID42935584
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(CN3CCN(C(C)C(=O)Nc4ccc(C#N)cc4)CC3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-17-3-7-20(8-4-17)23-27-22(32-28-23)16-29-11-13-30(14-12-29)18(2)24(31)26-21-9-5-19(15-25)6-10-21/h3-10,18H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyBEEFAPUIDZGBQX-UHFFFAOYSA-N
XLogP3.06
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 86959078
N-(2-methylbutan-2-yl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55541681
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 38884826
(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 30666744
4-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 134042337
(2R)-N-(4-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720773
2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 45281557
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 31001493
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide
CID 2654990
N-(4-methylphenyl)-2-[4-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 46923419
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
N-cyclopropyl-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46512485

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (CID 42935584) is N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is Cc1ccc(-c2noc(CN3CCN(C(C)C(=O)Nc4ccc(C#N)cc4)CC3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is BEEFAPUIDZGBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-3-7-20(8-4-17)23-27-22(32-28-23)16-29-11-13-30(14-12-29)18(2)24(31)26-21-9-5-19(15-25)6-10-21/h3-10,18H,11-14,16H2,1-2H3,(H,26,31).
What are the key properties of N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 430.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42935584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).