1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C18H21F3N2O4 — CID 142237091

IUPAC1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H21F3N2O4/c19-18(20,21)27-14-5-3-13(4-6-14)12-17(26)7-10-22(11-8-17)16(25)23-9-1-2-15(23)24/h3-6,26H,1-2,7-12H2
InChIKeyAGGWUPOPEDPDPC-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one

1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 142237091) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID142237091
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Name1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H21F3N2O4/c19-18(20,21)27-14-5-3-13(4-6-14)12-17(26)7-10-22(11-8-17)16(25)23-9-1-2-15(23)24/h3-6,26H,1-2,7-12H2
InChIKeyAGGWUPOPEDPDPC-UHFFFAOYSA-N
XLogP2.70
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
CID 80561273
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119251700
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 126826641
[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201
2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65148770
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 142237091) is 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CCCN1C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AGGWUPOPEDPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c19-18(20,21)27-14-5-3-13(4-6-14)12-17(26)7-10-22(11-8-17)16(25)23-9-1-2-15(23)24/h3-6,26H,1-2,7-12H2.
What are the key properties of 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 386.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 142237091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).