2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide

C18H25F3N2O2 — CID 97193145

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN1CCC(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-2-23-9-7-13(8-10-23)11-17(25)22-12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyXGWOXMCCIQLLGI-MRXNPFEDSA-N
MW358.40 g/mol
LogP2.98
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 97193145) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID97193145
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN1CCC(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-2-23-9-7-13(8-10-23)11-17(25)22-12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyXGWOXMCCIQLLGI-MRXNPFEDSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
2-(1-ethylpiperidin-4-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 72923503
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]acetamide
CID 97206459
2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 72893155
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
2-[(1-ethylpiperidin-4-yl)methylamino]-1-[2-(fluoromethyl)-8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 70822571
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 47081512

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide (CID 97193145) is 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide is CCN1CCC(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XGWOXMCCIQLLGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-2-23-9-7-13(8-10-23)11-17(25)22-12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 97193145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).