N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide

C17H23F3N2O2 — CID 95718043

IUPACN-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c1-13(23)21-9-8-15-6-2-3-10-22(15)12-14-5-4-7-16(11-14)24-17(18,19)20/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLSHWIQFBAMIWAJ-HNNXBMFYSA-N
MW344.38 g/mol
LogP3.47
Rot. Bonds6

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

N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 95718043) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID95718043
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c1-13(23)21-9-8-15-6-2-3-10-22(15)12-14-5-4-7-16(11-14)24-17(18,19)20/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLSHWIQFBAMIWAJ-HNNXBMFYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
CID 111111621
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 90353917
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70744666
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
tert-butyl N-[[(2S)-1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94375785
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104813
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide (CID 95718043) is N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCCN1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is LSHWIQFBAMIWAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-13(23)21-9-8-15-6-2-3-10-22(15)12-14-5-4-7-16(11-14)24-17(18,19)20/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 95718043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).