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

C23H24N6O2 — CID 33432417

IUPACN-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H24N6O2/c24-16-18-5-4-8-20(15-18)25-21(30)9-10-28-11-13-29(14-12-28)17-22-26-23(27-31-22)19-6-2-1-3-7-19/h1-8,15H,9-14,17H2,(H,25,30)
InChIKeyORIXMYPAQTZSEC-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.75
Rot. Bonds7

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

N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 33432417) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
PubChem CID33432417
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H24N6O2/c24-16-18-5-4-8-20(15-18)25-21(30)9-10-28-11-13-29(14-12-28)17-22-26-23(27-31-22)19-6-2-1-3-7-19/h1-8,15H,9-14,17H2,(H,25,30)
InChIKeyORIXMYPAQTZSEC-UHFFFAOYSA-N
XLogP2.75
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (CID 33432417) is N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is N#Cc1cccc(NC(=O)CCN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is ORIXMYPAQTZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-16-18-5-4-8-20(15-18)25-21(30)9-10-28-11-13-29(14-12-28)17-22-26-23(27-31-22)19-6-2-1-3-7-19/h1-8,15H,9-14,17H2,(H,25,30).
What are the key properties of N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 416.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 33432417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).