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

C22H30N6O2 — CID 78860502

IUPACN-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)N(C)CCC#N)CC3)n2)cc1
InChIInChI=1S/C22H30N6O2/c1-16-6-8-19(9-7-16)20-24-21(30-25-20)17(2)27-12-14-28(15-13-27)18(3)22(29)26(4)11-5-10-23/h6-9,17-18H,5,11-15H2,1-4H3
InChIKeyLEIRKBRCWFDNIG-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.48
Rot. Bonds7

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

N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (PubChem CID 78860502) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
PubChem CID78860502
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)N(C)CCC#N)CC3)n2)cc1
InChIInChI=1S/C22H30N6O2/c1-16-6-8-19(9-7-16)20-24-21(30-25-20)17(2)27-12-14-28(15-13-27)18(3)22(29)26(4)11-5-10-23/h6-9,17-18H,5,11-15H2,1-4H3
InChIKeyLEIRKBRCWFDNIG-UHFFFAOYSA-N
XLogP2.48
TPSA89.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
CID 55628105
5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455
(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 55636664
2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855476
(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 55628129
N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 46482685

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (CID 78860502) is N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)N(C)CCC#N)CC3)n2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The InChIKey is LEIRKBRCWFDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-6-8-19(9-7-16)20-24-21(30-25-20)17(2)27-12-14-28(15-13-27)18(3)22(29)26(4)11-5-10-23/h6-9,17-18H,5,11-15H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78860502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).