(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

C19H28Cl2F3N3O — CID 120639496

IUPAC(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CCN1.Cl.Cl
InChIInChI=1S/C19H26F3N3O.2ClH/c1-13-11-14(7-8-23-13)18(26)24-16-12-15(19(20,21)22)5-6-17(16)25-9-3-2-4-10-25;;/h5-6,12-14,23H,2-4,7-11H2,1H3,(H,24,26);2*1H/t13-,14-;;/m0../s1
InChIKeyQLUXVQCSAKTWOK-AXEKQOJOSA-N
MW442.35 g/mol
LogP4.87
Rot. Bonds3

About (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120639496) has the molecular formula C19H28Cl2F3N3O and a molecular weight of 442.35 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120639496
Molecular FormulaC19H28Cl2F3N3O
Molecular Weight442.35 g/mol
Exact Mass441.16
IUPAC Name(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CCN1.Cl.Cl
InChIInChI=1S/C19H26F3N3O.2ClH/c1-13-11-14(7-8-23-13)18(26)24-16-12-15(19(20,21)22)5-6-17(16)25-9-3-2-4-10-25;;/h5-6,12-14,23H,2-4,7-11H2,1H3,(H,24,26);2*1H/t13-,14-;;/m0../s1
InChIKeyQLUXVQCSAKTWOK-AXEKQOJOSA-N
XLogP4.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(1S)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 8849710
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119828255
(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120644886
(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 39964639
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-methyl-N-[3-oxo-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]propyl]cyclopropane-1-carboxamide
CID 55668904
(2S,5R)-5-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796839

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 120639496) is (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CCN1.Cl.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is QLUXVQCSAKTWOK-AXEKQOJOSA-N. The full InChI is InChI=1S/C19H26F3N3O.2ClH/c1-13-11-14(7-8-23-13)18(26)24-16-12-15(19(20,21)22)5-6-17(16)25-9-3-2-4-10-25;;/h5-6,12-14,23H,2-4,7-11H2,1H3,(H,24,26);2*1H/t13-,14-;;/m0../s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 442.35 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).