1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide

C20H25F3N4O7 — CID 3752247

IUPAC1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC(O)(C(=O)NC2CCCNC2=O)CC(O)C1O
InChIInChI=1S/C20H25F3N4O7/c21-20(22,23)34-11-5-3-10(4-6-11)25-18(32)27-13-8-19(33,9-14(28)15(13)29)17(31)26-12-2-1-7-24-16(12)30/h3-6,12-15,28-29,33H,1-2,7-9H2,(H,24,30)(H,26,31)(H2,25,27,32)
InChIKeyWKOZTKNRMCXRMB-UHFFFAOYSA-N
MW490.44 g/mol
LogP-0.28
Rot. Bonds5

About 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide

1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 3752247) has the molecular formula C20H25F3N4O7 and a molecular weight of 490.44 g/mol. Its IUPAC name is 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID3752247
Molecular FormulaC20H25F3N4O7
Molecular Weight490.44 g/mol
Exact Mass490.17
IUPAC Name1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC(O)(C(=O)NC2CCCNC2=O)CC(O)C1O
InChIInChI=1S/C20H25F3N4O7/c21-20(22,23)34-11-5-3-10(4-6-11)25-18(32)27-13-8-19(33,9-14(28)15(13)29)17(31)26-12-2-1-7-24-16(12)30/h3-6,12-15,28-29,33H,1-2,7-9H2,(H,24,30)(H,26,31)(H2,25,27,32)
InChIKeyWKOZTKNRMCXRMB-UHFFFAOYSA-N
XLogP-0.28
TPSA169.25 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide 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

[(3aR,4R,6R,7R,7aR)-6,7-dihydroxy-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-yl]-piperidin-1-ylmethanone
CID 40780862
methyl (2R)-3-methyl-2-[[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexanecarbonyl]amino]butanoate
CID 7114660
(1S,3R,4R,5S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134477
(1S,3R,4R,5S)-N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134483
(1S,3R,4R,5S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134494
(1S,3R,4R,5S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134500
(1S,3R,4R,5S)-N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134525
(1S,3R,4R,5S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 7134536
(3R,4R,5R)-4,5-dihydroxy-N-[(3S)-2-oxopiperidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 11866339
(1S,3R,4R,5S)-N-(2-amino-2-oxoethyl)-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 11882550
trans-(3R,5R)-N-[5-amino-1-(4-octoxyanilino)-1-oxopentan-2-yl]-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide
CID 52943940
trans-(3R,5R)-1,3,4,5-tetrahydroxy-N-[3-hydroxy-1-(4-octoxyanilino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 52945157

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide (CID 3752247) is 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC(O)(C(=O)NC2CCCNC2=O)CC(O)C1O.
What is the InChIKey of 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is WKOZTKNRMCXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O7/c21-20(22,23)34-11-5-3-10(4-6-11)25-18(32)27-13-8-19(33,9-14(28)15(13)29)17(31)26-12-2-1-7-24-16(12)30/h3-6,12-15,28-29,33H,1-2,7-9H2,(H,24,30)(H,26,31)(H2,25,27,32).
What are the key properties of 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide?
1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 490.44 g/mol, XLogP of -0.28, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trihydroxy-N-(2-oxopiperidin-3-yl)-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3752247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).