5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C18H21F3N2O2 — CID 24793081

IUPAC5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)15-5-3-4-13(10-15)11-23-12-14(6-7-16(23)24)17(25)22-8-1-2-9-22/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyCEVUUGWBCBNJDK-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.07
Rot. Bonds3

About 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24793081) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24793081
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)15-5-3-4-13(10-15)11-23-12-14(6-7-16(23)24)17(25)22-8-1-2-9-22/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyCEVUUGWBCBNJDK-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24793081) is 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1CCC(C(=O)N2CCCC2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is CEVUUGWBCBNJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-18(20,21)15-5-3-4-13(10-15)11-23-12-14(6-7-16(23)24)17(25)22-8-1-2-9-22/h3-5,10,14H,1-2,6-9,11-12H2.
What are the key properties of 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 354.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24793081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).