(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one

C17H23F3N2O3 — CID 95210577

IUPAC(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CNCc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H23F3N2O3/c1-25-10-9-22-8-4-7-16(24,15(22)23)12-21-11-13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6,21,24H,4,7-12H2,1H3/t16-/m0/s1
InChIKeyHIUABZSKXQJVQL-INIZCTEOSA-N
MW360.38 g/mol
LogP1.79
Rot. Bonds7

About (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one

(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one (PubChem CID 95210577) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
PubChem CID95210577
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CNCc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H23F3N2O3/c1-25-10-9-22-8-4-7-16(24,15(22)23)12-21-11-13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6,21,24H,4,7-12H2,1H3/t16-/m0/s1
InChIKeyHIUABZSKXQJVQL-INIZCTEOSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 25381737
3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45190640
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755449
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 26391310
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95200198
3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one
CID 45230079
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one (CID 95210577) is (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one is COCCN1CCC[C@](O)(CNCc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
The InChIKey is HIUABZSKXQJVQL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-25-10-9-22-8-4-7-16(24,15(22)23)12-21-11-13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6,21,24H,4,7-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one?
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one has a molecular weight of 360.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 95210577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).