(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide

C20H27F3N2O2 — CID 131939512

IUPAC(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-5-4-8-18(10-16)27-13-14-9-15(12-24-11-14)19(26)25-17-6-2-1-3-7-17/h4-5,8,10,14-15,17,24H,1-3,6-7,9,11-13H2,(H,25,26)/t14-,15+/m0/s1
InChIKeyNRLVTIZYQHNXBE-LSDHHAIUSA-N
MW384.44 g/mol
LogP3.76
Rot. Bonds5

About (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide

(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide (PubChem CID 131939512) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
PubChem CID131939512
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-5-4-8-18(10-16)27-13-14-9-15(12-24-11-14)19(26)25-17-6-2-1-3-7-17/h4-5,8,10,14-15,17,24H,1-3,6-7,9,11-13H2,(H,25,26)/t14-,15+/m0/s1
InChIKeyNRLVTIZYQHNXBE-LSDHHAIUSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
CID 56860070
5-[[3-(trifluoromethyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62298692
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56852156
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide (CID 131939512) is (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The InChIKey is NRLVTIZYQHNXBE-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c21-20(22,23)16-5-4-8-18(10-16)27-13-14-9-15(12-24-11-14)19(26)25-17-6-2-1-3-7-17/h4-5,8,10,14-15,17,24H,1-3,6-7,9,11-13H2,(H,25,26)/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 131939512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).