(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C15H19F3N2O2 — CID 97277081

IUPAC(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-22-10-13-7-2-3-8-20(13)14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKBBWQSLWIWYUCN-ZDUSSCGKSA-N
MW316.32 g/mol
LogP3.74
Rot. Bonds3

About (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 97277081) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID97277081
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-22-10-13-7-2-3-8-20(13)14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKBBWQSLWIWYUCN-ZDUSSCGKSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
(2S,3S)-2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97083086
2-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805912
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 102786005
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
(3R)-3-[(dimethylamino)methyl]-N-[3-(trifluoromethyl)phenyl]-1,4-thiazepane-4-carboxamide
CID 97105237
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
CID 12721841
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 97277081) is (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COC[C@@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KBBWQSLWIWYUCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-22-10-13-7-2-3-8-20(13)14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97277081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).