2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide

C29H41FN4O4 — CID 66563145

IUPAC2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCOCC4)c(F)c3)CC2)n1
InChIInChI=1S/C29H41FN4O4/c1-19(2)28-31-29(38-32-28)34-11-6-20(7-12-34)25-16-21(25)8-15-37-24-5-4-22(26(30)18-24)17-27(35)33(3)23-9-13-36-14-10-23/h4-5,18-21,23,25H,6-17H2,1-3H3/t21-,25-/m1/s1
InChIKeyWKCAQRNUUWYWOR-PXDATVDWSA-N
MW528.67 g/mol
LogP4.83
Rot. Bonds10

About 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide

2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 66563145) has the molecular formula C29H41FN4O4 and a molecular weight of 528.67 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID66563145
Molecular FormulaC29H41FN4O4
Molecular Weight528.67 g/mol
Exact Mass528.31
IUPAC Name2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCOCC4)c(F)c3)CC2)n1
InChIInChI=1S/C29H41FN4O4/c1-19(2)28-31-29(38-32-28)34-11-6-20(7-12-34)25-16-21(25)8-15-37-24-5-4-22(26(30)18-24)17-27(35)33(3)23-9-13-36-14-10-23/h4-5,18-21,23,25H,6-17H2,1-3H3/t21-,25-/m1/s1
InChIKeyWKCAQRNUUWYWOR-PXDATVDWSA-N
XLogP4.83
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.67
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide (CID 66563145) is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide is CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCOCC4)c(F)c3)CC2)n1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is WKCAQRNUUWYWOR-PXDATVDWSA-N. The full InChI is InChI=1S/C29H41FN4O4/c1-19(2)28-31-29(38-32-28)34-11-6-20(7-12-34)25-16-21(25)8-15-37-24-5-4-22(26(30)18-24)17-27(35)33(3)23-9-13-36-14-10-23/h4-5,18-21,23,25H,6-17H2,1-3H3/t21-,25-/m1/s1.
What are the key properties of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 528.67 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66563145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).