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

C19H25N3O3 — CID 91888786

IUPAC(4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13(2)18-20-17(25-21-18)12-14-8-10-22(11-9-14)19(23)15-4-6-16(24-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3
InChIKeyKZOXMFXESBPQOP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.30
Rot. Bonds5

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

(4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91888786) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91888786
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13(2)18-20-17(25-21-18)12-14-8-10-22(11-9-14)19(23)15-4-6-16(24-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3
InChIKeyKZOXMFXESBPQOP-UHFFFAOYSA-N
XLogP3.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91888786) is (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is KZOXMFXESBPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)18-20-17(25-21-18)12-14-8-10-22(11-9-14)19(23)15-4-6-16(24-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91888786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).