(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C17H24ClF3N2O2 — CID 120639790

IUPAC(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(COCC(F)(F)F)c2)CCN1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12-7-15(5-6-21-12)16(23)22-9-13-3-2-4-14(8-13)10-24-11-17(18,19)20;/h2-4,8,12,15,21H,5-7,9-11H2,1H3,(H,22,23);1H/t12-,15-;/m0./s1
InChIKeyLMWGVHCCCOJKEN-NXCSSKFKSA-N
MW380.84 g/mol
LogP3.19
Rot. Bonds6

About (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120639790) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120639790
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC Name(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(COCC(F)(F)F)c2)CCN1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12-7-15(5-6-21-12)16(23)22-9-13-3-2-4-14(8-13)10-24-11-17(18,19)20;/h2-4,8,12,15,21H,5-7,9-11H2,1H3,(H,22,23);1H/t12-,15-;/m0./s1
InChIKeyLMWGVHCCCOJKEN-NXCSSKFKSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120639790) is (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2cccc(COCC(F)(F)F)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LMWGVHCCCOJKEN-NXCSSKFKSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c1-12-7-15(5-6-21-12)16(23)22-9-13-3-2-4-14(8-13)10-24-11-17(18,19)20;/h2-4,8,12,15,21H,5-7,9-11H2,1H3,(H,22,23);1H/t12-,15-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 3.19, 6 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-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).