N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide

C31H36F3N3O6 — CID 70272596

IUPACN-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc(C(OCC(F)(F)F)C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1
InChIInChI=1S/C31H36F3N3O6/c1-20(38)35-23-8-12-26(13-9-23)43-25-10-6-21(7-11-25)28(42-19-31(32,33)34)29(39)36-16-14-24(15-17-36)37-27-5-3-2-4-22(27)18-41-30(37)40/h2-7,10-11,23-24,26,28H,8-9,12-19H2,1H3,(H,35,38)
InChIKeyZHOQGMNFUSJYDU-UHFFFAOYSA-N
MW603.64 g/mol
LogP5.28
Rot. Bonds8

About N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide

N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide (PubChem CID 70272596) has the molecular formula C31H36F3N3O6 and a molecular weight of 603.64 g/mol. Its IUPAC name is N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide
PubChem CID70272596
Molecular FormulaC31H36F3N3O6
Molecular Weight603.64 g/mol
Exact Mass603.26
IUPAC NameN-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc(C(OCC(F)(F)F)C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1
InChIInChI=1S/C31H36F3N3O6/c1-20(38)35-23-8-12-26(13-9-23)43-25-10-6-21(7-11-25)28(42-19-31(32,33)34)29(39)36-16-14-24(15-17-36)37-27-5-3-2-4-22(27)18-41-30(37)40/h2-7,10-11,23-24,26,28H,8-9,12-19H2,1H3,(H,35,38)
InChIKeyZHOQGMNFUSJYDU-UHFFFAOYSA-N
XLogP5.28
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.64
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-[2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 15840433
N-tert-butyl-2-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]ethyl]-3-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 54328894
tert-butyl 2-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]ethyl]-3-(2,2,2-trifluoroethoxy)phenoxy]acetate
CID 18700179
1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70106844
1-[1-[4-[1-[3-(diethylamino)propanoyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70107219
1-[1-[2-methoxy-4-[1-[(4-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 10841081
ethane;prop-1-ene;prop-1-yne;1-[1-[(Z)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]sulfinylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 142998133
1-[1-(4-hydroxy-2-methoxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70065555
tert-butyl (3S,4R)-3-methyl-4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
CID 90778389
N-(2-methoxypropyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 70106939
1-[1-[4-[1-[(2,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 10722297
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide?
The IUPAC name of N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide (CID 70272596) is N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide is CC(=O)NC1CCC(Oc2ccc(C(OCC(F)(F)F)C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1.
What is the InChIKey of N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide?
The InChIKey is ZHOQGMNFUSJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N3O6/c1-20(38)35-23-8-12-26(13-9-23)43-25-10-6-21(7-11-25)28(42-19-31(32,33)34)29(39)36-16-14-24(15-17-36)37-27-5-3-2-4-22(27)18-41-30(37)40/h2-7,10-11,23-24,26,28H,8-9,12-19H2,1H3,(H,35,38).
What are the key properties of N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide?
N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide has a molecular weight of 603.64 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-oxo-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethoxy)ethyl]phenoxy]cyclohexyl]acetamide is sourced from PubChem (CID 70272596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).