(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine

C27H33F3N4O — CID 144513241

IUPAC(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESFC(F)(F)c1ccc(N2CCC[C@H](N[C@@H]3CCCCC3/N=C3\CC(c4ccccc4)ON3)C2)cc1
InChIInChI=1S/C27H33F3N4O/c28-27(29,30)20-12-14-22(15-13-20)34-16-6-9-21(18-34)31-23-10-4-5-11-24(23)32-26-17-25(35-33-26)19-7-2-1-3-8-19/h1-3,7-8,12-15,21,23-25,31H,4-6,9-11,16-18H2,(H,32,33)/t21-,23+,24?,25?/m0/s1
InChIKeyHOABYGHVCHIFQT-ALZLXQCFSA-N
MW486.58 g/mol
LogP5.64
Rot. Bonds5

About (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine

(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 144513241) has the molecular formula C27H33F3N4O and a molecular weight of 486.58 g/mol. Its IUPAC name is (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID144513241
Molecular FormulaC27H33F3N4O
Molecular Weight486.58 g/mol
Exact Mass486.26
IUPAC Name(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESFC(F)(F)c1ccc(N2CCC[C@H](N[C@@H]3CCCCC3/N=C3\CC(c4ccccc4)ON3)C2)cc1
InChIInChI=1S/C27H33F3N4O/c28-27(29,30)20-12-14-22(15-13-20)34-16-6-9-21(18-34)31-23-10-4-5-11-24(23)32-26-17-25(35-33-26)19-7-2-1-3-8-19/h1-3,7-8,12-15,21,23-25,31H,4-6,9-11,16-18H2,(H,32,33)/t21-,23+,24?,25?/m0/s1
InChIKeyHOABYGHVCHIFQT-ALZLXQCFSA-N
XLogP5.64
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine 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

4-[(3S)-3-[[(1R,2R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 136634847
trans-(1R,2R)-2-N-[5-[2-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 89393996
2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid
CID 78043391
phenyl-[3-[[(2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-2H-1,3-oxazol-5-yl]carbamic acid
CID 123142413
(1R)-2-N-[4-(3-pyrrolidin-2-ylphenyl)-2-pyridinyl]-1-N-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 144513401
trans-(1R,2R)-2-N-[5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233149
2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyrimidine-4-carbonitrile
CID 78043328
2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyrimidine-4-carbonitrile
CID 71233261
1-(4-chlorophenyl)-3-[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 71235640
trans-(1R,2R)-2-N-[4-[3-(dimethylamino)phenyl]-2-pyridinyl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233169
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 123268230
N-cyclopentyl-3-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 71233152

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine (CID 144513241) is (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine is FC(F)(F)c1ccc(N2CCC[C@H](N[C@@H]3CCCCC3/N=C3\CC(c4ccccc4)ON3)C2)cc1.
What is the InChIKey of (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is HOABYGHVCHIFQT-ALZLXQCFSA-N. The full InChI is InChI=1S/C27H33F3N4O/c28-27(29,30)20-12-14-22(15-13-20)34-16-6-9-21(18-34)31-23-10-4-5-11-24(23)32-26-17-25(35-33-26)19-7-2-1-3-8-19/h1-3,7-8,12-15,21,23-25,31H,4-6,9-11,16-18H2,(H,32,33)/t21-,23+,24?,25?/m0/s1.
What are the key properties of (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine?
(3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 486.58 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-2-[(5-phenyl-1,2-oxazolidin-3-ylidene)amino]cyclohexyl]-1-[4-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 144513241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).