3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C15H20F3N3O3 — CID 95712741

IUPAC3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C15H20F3N3O3/c1-20(2)8-14(24)6-3-7-21(9-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,24H,3,6-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyAVUCAADQDQKSDB-AWEZNQCLSA-N
MW347.34 g/mol
LogP0.92
Rot. Bonds3

About 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 95712741) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID95712741
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C15H20F3N3O3/c1-20(2)8-14(24)6-3-7-21(9-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,24H,3,6-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyAVUCAADQDQKSDB-AWEZNQCLSA-N
XLogP0.92
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-{[4-(1-Hydroxy-3-methylbutyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 70780342
3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43415900
3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 56909789
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60957131
N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110034
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65112623
3-(3-hydroxy-3-propylazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65929558
3-(3-ethyl-3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65950374
3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 75511502
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 79376646
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 80702389

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 95712741) is 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AVUCAADQDQKSDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-20(2)8-14(24)6-3-7-21(9-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,24H,3,6-9H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 347.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 95712741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).