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

C24H31N3O4 — CID 91918943

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cc4nc(C5CCOCC5)no4)C3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-29-20-6-4-19(5-7-20)24(10-11-24)23(28)27-12-2-3-17(16-27)15-21-25-22(26-31-21)18-8-13-30-14-9-18/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeyYFXFRIUMDXYYFK-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.49
Rot. Bonds6

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

[1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91918943) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91918943
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cc4nc(C5CCOCC5)no4)C3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-29-20-6-4-19(5-7-20)24(10-11-24)23(28)27-12-2-3-17(16-27)15-21-25-22(26-31-21)18-8-13-30-14-9-18/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeyYFXFRIUMDXYYFK-UHFFFAOYSA-N
XLogP3.49
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

CID 70856302
CID 70856302
CID 91906454
CID 91906454
CID 123287580
CID 123287580
CID 123513095
CID 123513095
CID 123989644
CID 123989644
CID 72021543
CID 72021543
CID 72138477
CID 72138477
CID 124038794
CID 124038794
CID 124038796
CID 124038796
CID 124072771
CID 124072771
CID 136087924
CID 136087924
CID 91918929
CID 91918929

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91918943) is [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC(Cc4nc(C5CCOCC5)no4)C3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is YFXFRIUMDXYYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-29-20-6-4-19(5-7-20)24(10-11-24)23(28)27-12-2-3-17(16-27)15-21-25-22(26-31-21)18-8-13-30-14-9-18/h4-7,17-18H,2-3,8-16H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 425.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).