[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone

C28H33N5O3 — CID 50767346

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(C(=O)c4ccc(-c5noc(C)n5)cc4)CC3)CC2)c1
InChIInChI=1S/C28H33N5O3/c1-19-4-5-20(2)25(18-19)31-14-16-33(17-15-31)28(35)24-10-12-32(13-11-24)27(34)23-8-6-22(7-9-23)26-29-21(3)36-30-26/h4-9,18,24H,10-17H2,1-3H3
InChIKeyDMICCONCYWKVDP-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.86
Rot. Bonds4

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone (PubChem CID 50767346) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
PubChem CID50767346
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(C(=O)c4ccc(-c5noc(C)n5)cc4)CC3)CC2)c1
InChIInChI=1S/C28H33N5O3/c1-19-4-5-20(2)25(18-19)31-14-16-33(17-15-31)28(35)24-10-12-32(13-11-24)27(34)23-8-6-22(7-9-23)26-29-21(3)36-30-26/h4-9,18,24H,10-17H2,1-3H3
InChIKeyDMICCONCYWKVDP-UHFFFAOYSA-N
XLogP3.86
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]methanone
CID 53030303
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone (CID 50767346) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCN(C(=O)c4ccc(-c5noc(C)n5)cc4)CC3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is DMICCONCYWKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-19-4-5-20(2)25(18-19)31-14-16-33(17-15-31)28(35)24-10-12-32(13-11-24)27(34)23-8-6-22(7-9-23)26-29-21(3)36-30-26/h4-9,18,24H,10-17H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 487.60 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 50767346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).