3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C16H22F3N3O2 — CID 56913184

IUPAC3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCC1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)
InChIKeyANQCCXBMEVZGAX-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.34
Rot. Bonds4

About 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 56913184) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID56913184
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCC1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)
InChIKeyANQCCXBMEVZGAX-UHFFFAOYSA-N
XLogP2.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 56913184) is 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CN(C)CCC1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ANQCCXBMEVZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21(2)10-8-11-5-3-4-9-22(11)15(24)12-6-7-13(16(17,18)19)20-14(12)23/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23).
What are the key properties of 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 345.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 56913184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).