(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C19H28ClF3N2O2 — CID 120624510

IUPAC(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc(C)c1OCC(F)(F)F.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-12-7-15(8-13(2)17(12)26-11-19(20,21)22)10-24(4)18(25)16-5-6-23-14(3)9-16;/h7-8,14,16,23H,5-6,9-11H2,1-4H3;1H/t14-,16-;/m0./s1
InChIKeyBHUUGRUVBAHIOX-DMLYUBSXSA-N
MW408.89 g/mol
LogP4.01
Rot. Bonds5

About (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120624510) has the molecular formula C19H28ClF3N2O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120624510
Molecular FormulaC19H28ClF3N2O2
Molecular Weight408.89 g/mol
Exact Mass408.18
IUPAC Name(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc(C)c1OCC(F)(F)F.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-12-7-15(8-13(2)17(12)26-11-19(20,21)22)10-24(4)18(25)16-5-6-23-14(3)9-16;/h7-8,14,16,23H,5-6,9-11H2,1-4H3;1H/t14-,16-;/m0./s1
InChIKeyBHUUGRUVBAHIOX-DMLYUBSXSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 124588743
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119740738
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
(2S,5R)-5-(aminomethyl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyloxolane-2-carboxamide
CID 120789020
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119740719
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937412
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119766902
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120624510) is (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is Cc1cc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc(C)c1OCC(F)(F)F.Cl.
What is the InChIKey of (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BHUUGRUVBAHIOX-DMLYUBSXSA-N. The full InChI is InChI=1S/C19H27F3N2O2.ClH/c1-12-7-15(8-13(2)17(12)26-11-19(20,21)22)10-24(4)18(25)16-5-6-23-14(3)9-16;/h7-8,14,16,23H,5-6,9-11H2,1-4H3;1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).