1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one

C15H18F3N3O — CID 56872917

IUPAC1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-3-1-7-19-14(12)20-9-5-11(6-10-20)21-8-2-4-13(21)22/h1,3,7,11H,2,4-6,8-10H2
InChIKeyGZRMOQOVYLGOTE-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.69
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56872917) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56872917
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-3-1-7-19-14(12)20-9-5-11(6-10-20)21-8-2-4-13(21)22/h1,3,7,11H,2,4-6,8-10H2
InChIKeyGZRMOQOVYLGOTE-UHFFFAOYSA-N
XLogP2.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]piperidin-2-one
CID 133420344
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 171992769

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one (CID 56872917) is 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is GZRMOQOVYLGOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-3-1-7-19-14(12)20-9-5-11(6-10-20)21-8-2-4-13(21)22/h1,3,7,11H,2,4-6,8-10H2.
What are the key properties of 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 313.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56872917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).