N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

C24H33F2N3O3 — CID 25205584

IUPACN-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3noc4cc(F)c(F)cc34)CC2)CC1
InChIInChI=1S/C24H33F2N3O3/c1-31-13-9-23(30)27-18-4-2-16(3-5-18)6-10-29-11-7-17(8-12-29)24-19-14-20(25)21(26)15-22(19)32-28-24/h14-18H,2-13H2,1H3,(H,27,30)
InChIKeyOUHCXMUUIFHTFO-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.39
Rot. Bonds8

About N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (PubChem CID 25205584) has the molecular formula C24H33F2N3O3 and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
PubChem CID25205584
Molecular FormulaC24H33F2N3O3
Molecular Weight449.54 g/mol
Exact Mass449.25
IUPAC NameN-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3noc4cc(F)c(F)cc34)CC2)CC1
InChIInChI=1S/C24H33F2N3O3/c1-31-13-9-23(30)27-18-4-2-16(3-5-18)6-10-29-11-7-17(8-12-29)24-19-14-20(25)21(26)15-22(19)32-28-24/h14-18H,2-13H2,1H3,(H,27,30)
InChIKeyOUHCXMUUIFHTFO-UHFFFAOYSA-N
XLogP4.39
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (CID 25205584) is N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is COCCC(=O)NC1CCC(CCN2CCC(c3noc4cc(F)c(F)cc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The InChIKey is OUHCXMUUIFHTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O3/c1-31-13-9-23(30)27-18-4-2-16(3-5-18)6-10-29-11-7-17(8-12-29)24-19-14-20(25)21(26)15-22(19)32-28-24/h14-18H,2-13H2,1H3,(H,27,30).
What are the key properties of N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide has a molecular weight of 449.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is sourced from PubChem (CID 25205584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).