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

C19H25N3O2 — CID 154798533

IUPAC[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C19H25N3O2/c1-13-20-21-17(24-13)18(23)22-11-9-15(10-12-22)14-5-7-16(8-6-14)19(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyKDQXPMACAVIZJC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.70
Rot. Bonds2

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

[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 154798533) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID154798533
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C19H25N3O2/c1-13-20-21-17(24-13)18(23)22-11-9-15(10-12-22)14-5-7-16(8-6-14)19(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyKDQXPMACAVIZJC-UHFFFAOYSA-N
XLogP3.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110395984
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 166266987
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 99609284
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 166250034
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
CID 167704899

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (CID 154798533) is [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is Cc1nnc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)o1.
What is the InChIKey of [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is KDQXPMACAVIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-20-21-17(24-13)18(23)22-11-9-15(10-12-22)14-5-7-16(8-6-14)19(2,3)4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 154798533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).