N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C27H32FN3O3 — CID 10368752

IUPACN-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H32FN3O3/c28-22-9-6-21-18-34-27(33)31(25(21)16-22)24-12-14-30(15-13-24)17-26(32)29-23-10-7-20(8-11-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)
InChIKeySGKPJNJGLULJQC-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.43
Rot. Bonds5

About N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10368752) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10368752
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H32FN3O3/c28-22-9-6-21-18-34-27(33)31(25(21)16-22)24-12-14-30(15-13-24)17-26(32)29-23-10-7-20(8-11-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)
InChIKeySGKPJNJGLULJQC-UHFFFAOYSA-N
XLogP5.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10368752) is N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is SGKPJNJGLULJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c28-22-9-6-21-18-34-27(33)31(25(21)16-22)24-12-14-30(15-13-24)17-26(32)29-23-10-7-20(8-11-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32).
What are the key properties of N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 465.57 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10368752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).