4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C23H29ClF3N3O — CID 66921153

IUPAC4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.Cl
InChIInChI=1S/C23H28F3N3O.ClH/c1-16(2)18-5-9-20(10-6-18)28-21(30)22(27)11-13-29(14-12-22)15-17-3-7-19(8-4-17)23(24,25)26;/h3-10,16H,11-15,27H2,1-2H3,(H,28,30);1H
InChIKeyJCJDOARHLNNBFZ-UHFFFAOYSA-N
MW455.95 g/mol
LogP5.18
Rot. Bonds5

About 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 66921153) has the molecular formula C23H29ClF3N3O and a molecular weight of 455.95 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID66921153
Molecular FormulaC23H29ClF3N3O
Molecular Weight455.95 g/mol
Exact Mass455.20
IUPAC Name4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.Cl
InChIInChI=1S/C23H28F3N3O.ClH/c1-16(2)18-5-9-20(10-6-18)28-21(30)22(27)11-13-29(14-12-22)15-17-3-7-19(8-4-17)23(24,25)26;/h3-10,16H,11-15,27H2,1-2H3,(H,28,30);1H
InChIKeyJCJDOARHLNNBFZ-UHFFFAOYSA-N
XLogP5.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913668
4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 66921245
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
CID 58129384
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913817
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 66921153) is 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is CC(C)c1ccc(NC(=O)C2(N)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.Cl.
What is the InChIKey of 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JCJDOARHLNNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O.ClH/c1-16(2)18-5-9-20(10-6-18)28-21(30)22(27)11-13-29(14-12-22)15-17-3-7-19(8-4-17)23(24,25)26;/h3-10,16H,11-15,27H2,1-2H3,(H,28,30);1H.
What are the key properties of 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 455.95 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 66921153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).