(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one

C16H21F3N2O2 — CID 124621246

IUPAC(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one
SMILESCN(C[C@H](O)CC(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21F3N2O2/c1-20(11-13(22)10-16(17,18)19)14-8-5-9-21(15(14)23)12-6-3-2-4-7-12/h2-4,6-7,13-14,22H,5,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyFHOWNOAGEXPVJX-ZIAGYGMSSA-N
MW330.35 g/mol
LogP2.43
Rot. Bonds5

About (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one

(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one (PubChem CID 124621246) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one
PubChem CID124621246
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one
SMILESCN(C[C@H](O)CC(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21F3N2O2/c1-20(11-13(22)10-16(17,18)19)14-8-5-9-21(15(14)23)12-6-3-2-4-7-12/h2-4,6-7,13-14,22H,5,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyFHOWNOAGEXPVJX-ZIAGYGMSSA-N
XLogP2.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one
CID 119931878
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one
CID 129398366
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119792253
4-[(1S)-1-hydroxy-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]benzonitrile
CID 124725716
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
CID 119792252
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one?
The IUPAC name of (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one (CID 124621246) is (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one?
The canonical SMILES for (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one is CN(C[C@H](O)CC(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one?
The InChIKey is FHOWNOAGEXPVJX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-20(11-13(22)10-16(17,18)19)14-8-5-9-21(15(14)23)12-6-3-2-4-7-12/h2-4,6-7,13-14,22H,5,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one?
(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one has a molecular weight of 330.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one is sourced from PubChem (CID 124621246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).