cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone

C25H37F3N2O — CID 18353095

IUPACcyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone
SMILESCCN(CC1CCN(C(=O)C2CCCCC2)CC1)C(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H37F3N2O/c1-3-29(19(2)17-20-9-11-23(12-10-20)25(26,27)28)18-21-13-15-30(16-14-21)24(31)22-7-5-4-6-8-22/h9-12,19,21-22H,3-8,13-18H2,1-2H3
InChIKeyMOCVJUQLSWDWKI-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.78
Rot. Bonds7

About cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone

cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 18353095) has the molecular formula C25H37F3N2O and a molecular weight of 438.58 g/mol. Its IUPAC name is cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone
PubChem CID18353095
Molecular FormulaC25H37F3N2O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Namecyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone
SMILESCCN(CC1CCN(C(=O)C2CCCCC2)CC1)C(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H37F3N2O/c1-3-29(19(2)17-20-9-11-23(12-10-20)25(26,27)28)18-21-13-15-30(16-14-21)24(31)22-7-5-4-6-8-22/h9-12,19,21-22H,3-8,13-18H2,1-2H3
InChIKeyMOCVJUQLSWDWKI-UHFFFAOYSA-N
XLogP5.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[4-[[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone;2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 18353067
cyclohexyl-[4-[[1-(3,4-dichlorophenyl)propan-2-yl-ethylamino]methyl]piperidin-1-yl]methanone;2,3-dibenzoyl-2,3-dihydroxybutanedioic acid
CID 18352960
4-tert-butyl-N-[3-[2-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 18353056
N-[1-[4-[[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]methanesulfonamide
CID 54442637
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;4-[[ethyl-[1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 18352834
4-[[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide;dihydrochloride
CID 18353002
N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 18352901
N,N-dimethyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide
CID 78884393
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119484156
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 18353084
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone (CID 18353095) is cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone is CCN(CC1CCN(C(=O)C2CCCCC2)CC1)C(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is MOCVJUQLSWDWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F3N2O/c1-3-29(19(2)17-20-9-11-23(12-10-20)25(26,27)28)18-21-13-15-30(16-14-21)24(31)22-7-5-4-6-8-22/h9-12,19,21-22H,3-8,13-18H2,1-2H3.
What are the key properties of cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 438.58 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 18353095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).