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

C24H25N5O4 — CID 58032928

IUPAC3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide
SMILESCc1nnc(-c2ccc(NC(=O)CC(=O)N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1
InChIInChI=1S/C24H25N5O4/c1-16-5-3-4-6-20(16)24(32)29-13-11-28(12-14-29)22(31)15-21(30)25-19-9-7-18(8-10-19)23-27-26-17(2)33-23/h3-10H,11-15H2,1-2H3,(H,25,30)
InChIKeyWVZXNCKKICZLES-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.67
Rot. Bonds5

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

3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide (PubChem CID 58032928) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide
PubChem CID58032928
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide
SMILESCc1nnc(-c2ccc(NC(=O)CC(=O)N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1
InChIInChI=1S/C24H25N5O4/c1-16-5-3-4-6-20(16)24(32)29-13-11-28(12-14-29)22(31)15-21(30)25-19-9-7-18(8-10-19)23-27-26-17(2)33-23/h3-10H,11-15H2,1-2H3,(H,25,30)
InChIKeyWVZXNCKKICZLES-UHFFFAOYSA-N
XLogP2.67
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4556834
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3572173
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
N-(4-methylphenyl)-2-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 24616329
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110645616
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3941295
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide?
The IUPAC name of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide (CID 58032928) is 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide is Cc1nnc(-c2ccc(NC(=O)CC(=O)N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1.
What is the InChIKey of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide?
The InChIKey is WVZXNCKKICZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-16-5-3-4-6-20(16)24(32)29-13-11-28(12-14-29)22(31)15-21(30)25-19-9-7-18(8-10-19)23-27-26-17(2)33-23/h3-10H,11-15H2,1-2H3,(H,25,30).
What are the key properties of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide?
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide has a molecular weight of 447.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-oxopropanamide is sourced from PubChem (CID 58032928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).