4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C12H17F3N2O3 — CID 43419658

IUPAC4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)CC2)CN1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-17-6-8(5-10(17)19)11(20)16-3-1-9(18)2-4-16/h8-9,18H,1-7H2
InChIKeyUYULYLHLPZWVRT-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.38
Rot. Bonds2

About 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 43419658) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID43419658
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)CC2)CN1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-17-6-8(5-10(17)19)11(20)16-3-1-9(18)2-4-16/h8-9,18H,1-7H2
InChIKeyUYULYLHLPZWVRT-UHFFFAOYSA-N
XLogP0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60957390
(4-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709656
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 65995101
Pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
CID 75507561
4-(4-Hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 80702974
pyrrolidin-1-yl-[1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833115
pyrrolidin-1-yl-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833116
4-(3-Hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 103900992
4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 107224724
1-[2-Hydroxy-3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 109849341

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 43419658) is 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(O)CC2)CN1CC(F)(F)F.
What is the InChIKey of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is UYULYLHLPZWVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)7-17-6-8(5-10(17)19)11(20)16-3-1-9(18)2-4-16/h8-9,18H,1-7H2.
What are the key properties of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 294.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 43419658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).