4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one

C16H21F3N2O2 — CID 7305652

IUPAC4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C[C@H](N2CCCCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C16H21F3N2O2/c1-10-8-11(2)20-15(23)14(10)12(22)9-13(16(17,18)19)21-6-4-3-5-7-21/h8,13H,3-7,9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyNGHGRHRWBQHPHP-ZDUSSCGKSA-N
MW330.35 g/mol
LogP2.98
Rot. Bonds4

About 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one (PubChem CID 7305652) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one
PubChem CID7305652
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C[C@H](N2CCCCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C16H21F3N2O2/c1-10-8-11(2)20-15(23)14(10)12(22)9-13(16(17,18)19)21-6-4-3-5-7-21/h8,13H,3-7,9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyNGHGRHRWBQHPHP-ZDUSSCGKSA-N
XLogP2.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4,6-dimethyl-3-(4,4,4-trifluoro-3-piperidin-1-ylbutanoyl)-1H-pyridin-2-one
CID 6324012
4,6-dimethyl-3-(4,4,4-trifluoro-3-morpholin-4-ylbutanoyl)-1H-pyridin-2-one
CID 6324013
4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 166657161
4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ium-1-ylbutanoyl]-1H-pyridin-2-one
CID 7305651
4,6-dimethyl-3-[(3R)-4,4,4-trifluoro-3-piperidin-1-ium-1-ylbutanoyl]-1H-pyridin-2-one
CID 7305653
4,6-dimethyl-3-[(3R)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one
CID 7305654
4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ium-4-ylbutanoyl]-1H-pyridin-2-one
CID 7305655
4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one
CID 7305656
4,6-dimethyl-3-[(3R)-4,4,4-trifluoro-3-morpholin-4-ium-4-ylbutanoyl]-1H-pyridin-2-one
CID 7305657
4,6-dimethyl-3-[(3R)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one
CID 7305658
4,6-dimethyl-3-[4,4,4-trifluoro-3-(hydroxyamino)butanoyl]-1H-pyridin-2-one
CID 11150117
3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 11209343

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one (CID 7305652) is 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)C[C@H](N2CCCCC2)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one?
The InChIKey is NGHGRHRWBQHPHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10-8-11(2)20-15(23)14(10)12(22)9-13(16(17,18)19)21-6-4-3-5-7-21/h8,13H,3-7,9H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one has a molecular weight of 330.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-piperidin-1-ylbutanoyl]-1H-pyridin-2-one is sourced from PubChem (CID 7305652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).