4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H19F3N2O3 — CID 43428965

IUPAC4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2CO)CN1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-17-6-9(5-11(17)20)12(21)18-4-2-1-3-10(18)7-19/h9-10,19H,1-8H2
InChIKeyVFGHSBNYZMSNMK-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.77
Rot. Bonds3

About 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 43428965) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID43428965
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2CO)CN1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-17-6-9(5-11(17)20)12(21)18-4-2-1-3-10(18)7-19/h9-10,19H,1-8H2
InChIKeyVFGHSBNYZMSNMK-UHFFFAOYSA-N
XLogP0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,4S)-2-(difluoromethoxymethyl)-4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 175148640
3-[(2S,4S)-2-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 175150570
4-(3-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419634
4-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43430785
3-[3-(2-Hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56792531
4-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60957390
4-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 61408847
N-(2-hydroxycyclohexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 62365627
[2-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708766
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 66260518
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 79028808
(3R)-3-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95630201

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 43428965) is 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCCC2CO)CN1CC(F)(F)F.
What is the InChIKey of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is VFGHSBNYZMSNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)8-17-6-9(5-11(17)20)12(21)18-4-2-1-3-10(18)7-19/h9-10,19H,1-8H2.
What are the key properties of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 308.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 43428965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).