(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

C19H27F3N2O2 — CID 124732054

IUPAC(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCOCc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C19H27F3N2O2/c1-4-26-12-15-8-6-5-7-14(15)11-23-17(25)24-10-9-16(19(20,21)22)18(2,3)13-24/h5-8,16H,4,9-13H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyJHSGTJPEHXASAU-MRXNPFEDSA-N
MW372.43 g/mol
LogP4.34
Rot. Bonds5

About (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide

(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 124732054) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID124732054
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCOCc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C19H27F3N2O2/c1-4-26-12-15-8-6-5-7-14(15)11-23-17(25)24-10-9-16(19(20,21)22)18(2,3)13-24/h5-8,16H,4,9-13H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyJHSGTJPEHXASAU-MRXNPFEDSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124844398
(3S,4S)-N-[[2-(ethoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923563
4-[2-(4-chlorophenyl)acetyl]-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 78891360
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
4-[[2-(ethoxymethyl)phenyl]methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991453
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 34721841
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 51084405
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 124732054) is (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is CCOCc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1.
What is the InChIKey of (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is JHSGTJPEHXASAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-4-26-12-15-8-6-5-7-14(15)11-23-17(25)24-10-9-16(19(20,21)22)18(2,3)13-24/h5-8,16H,4,9-13H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide?
(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124732054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).