(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone

C19H25N3O2 — CID 51087755

IUPAC(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-20-17(24-21-19)12-22-10-8-16(9-11-22)18(23)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3
InChIKeyCPIMYYOEHUNAOK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.60
Rot. Bonds5

About (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone

(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone (PubChem CID 51087755) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
PubChem CID51087755
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-20-17(24-21-19)12-22-10-8-16(9-11-22)18(23)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3
InChIKeyCPIMYYOEHUNAOK-UHFFFAOYSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55703317
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62215670
N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357665
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56821294
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541317
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone (CID 51087755) is (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(Cc3nc(C(C)C)no3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is CPIMYYOEHUNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)19-20-17(24-21-19)12-22-10-8-16(9-11-22)18(23)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone?
(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 51087755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).