1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide

C28H35ClF3N3O — CID 58118444

IUPAC1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC2CCC(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C28H35ClF3N3O/c1-19-3-8-23(17-25(19)28(30,31)32)34-22-9-4-20(5-10-22)18-33-26(36)27(2)13-15-35(16-14-27)24-11-6-21(29)7-12-24/h3,6-8,11-12,17,20,22,34H,4-5,9-10,13-16,18H2,1-2H3,(H,33,36)
InChIKeyLRKZZDWUYFZARA-UHFFFAOYSA-N
MW522.06 g/mol
LogP7.06
Rot. Bonds6

About 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide

1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 58118444) has the molecular formula C28H35ClF3N3O and a molecular weight of 522.06 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide
PubChem CID58118444
Molecular FormulaC28H35ClF3N3O
Molecular Weight522.06 g/mol
Exact Mass521.24
IUPAC Name1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC2CCC(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C28H35ClF3N3O/c1-19-3-8-23(17-25(19)28(30,31)32)34-22-9-4-20(5-10-22)18-33-26(36)27(2)13-15-35(16-14-27)24-11-6-21(29)7-12-24/h3,6-8,11-12,17,20,22,34H,4-5,9-10,13-16,18H2,1-2H3,(H,33,36)
InChIKeyLRKZZDWUYFZARA-UHFFFAOYSA-N
XLogP7.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.06
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-methyl-N-[[4-(3-methyl-4-nitroanilino)cyclohexyl]methyl]piperidine-4-carboxamide
CID 130232424
1-[2-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118251
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-(dihydroxyamino)-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one
CID 88984084
4-(4-tert-butylphenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperazine-1-carboxamide
CID 58118430
2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118367
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone
CID 58118077
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118347
1-[2-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[4-[4-(dihydroxyamino)-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 88983865
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[[4-(trifluoromethoxy)-3-(trifluoromethyl)anilino]methyl]cyclohexyl]oxypropan-1-one
CID 162556957
4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 158685477

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide (CID 58118444) is 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide is Cc1ccc(NC2CCC(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide?
The InChIKey is LRKZZDWUYFZARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClF3N3O/c1-19-3-8-23(17-25(19)28(30,31)32)34-22-9-4-20(5-10-22)18-33-26(36)27(2)13-15-35(16-14-27)24-11-6-21(29)7-12-24/h3,6-8,11-12,17,20,22,34H,4-5,9-10,13-16,18H2,1-2H3,(H,33,36).
What are the key properties of 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide?
1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide has a molecular weight of 522.06 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 58118444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).