[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

C23H31N3O2 — CID 60500680

IUPAC[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-15(2)14-17-4-6-18(7-5-17)21(27)19-10-12-26(13-11-19)16(3)23-24-22(25-28-23)20-8-9-20/h4-7,15-16,19-20H,8-14H2,1-3H3
InChIKeyBXIIWHUIYBVXIS-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.80
Rot. Bonds7

About [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 60500680) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID60500680
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-15(2)14-17-4-6-18(7-5-17)21(27)19-10-12-26(13-11-19)16(3)23-24-22(25-28-23)20-8-9-20/h4-7,15-16,19-20H,8-14H2,1-3H3
InChIKeyBXIIWHUIYBVXIS-UHFFFAOYSA-N
XLogP4.80
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 60500680) is [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)C2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1.
What is the InChIKey of [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is BXIIWHUIYBVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-15(2)14-17-4-6-18(7-5-17)21(27)19-10-12-26(13-11-19)16(3)23-24-22(25-28-23)20-8-9-20/h4-7,15-16,19-20H,8-14H2,1-3H3.
What are the key properties of [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 60500680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).