N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide

C17H23F3N2O — CID 95714450

IUPACN-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21-16(23)12-22-10-4-5-13(11-22)8-9-14-6-2-3-7-15(14)17(18,19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyQDGZTTQWSDERSW-ZDUSSCGKSA-N
MW328.38 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide

N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide (PubChem CID 95714450) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
PubChem CID95714450
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21-16(23)12-22-10-4-5-13(11-22)8-9-14-6-2-3-7-15(14)17(18,19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyQDGZTTQWSDERSW-ZDUSSCGKSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95545419
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]methanesulfonamide
CID 56880960
2-(4-methylpyrazol-1-yl)-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56867276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide (CID 95714450) is N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide?
The InChIKey is QDGZTTQWSDERSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-21-16(23)12-22-10-4-5-13(11-22)8-9-14-6-2-3-7-15(14)17(18,19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide?
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95714450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).