1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid

C17H25F3N2O3 — CID 155957111

IUPAC1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
SMILESO=C(C1CCN(CC(F)(F)F)C1)N1CCC(C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C17H25F3N2O3/c18-17(19,20)11-21-7-2-12(10-21)14(23)22-8-3-13(4-9-22)16(15(24)25)5-1-6-16/h12-13H,1-11H2,(H,24,25)
InChIKeyYUDITVXULYBLRF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid

1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid (PubChem CID 155957111) has the molecular formula C17H25F3N2O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
PubChem CID155957111
Molecular FormulaC17H25F3N2O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC Name1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
SMILESO=C(C1CCN(CC(F)(F)F)C1)N1CCC(C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C17H25F3N2O3/c18-17(19,20)11-21-7-2-12(10-21)14(23)22-8-3-13(4-9-22)16(15(24)25)5-1-6-16/h12-13H,1-11H2,(H,24,25)
InChIKeyYUDITVXULYBLRF-UHFFFAOYSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid (CID 155957111) is 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid is O=C(C1CCN(CC(F)(F)F)C1)N1CCC(C2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The InChIKey is YUDITVXULYBLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3/c18-17(19,20)11-21-7-2-12(10-21)14(23)22-8-3-13(4-9-22)16(15(24)25)5-1-6-16/h12-13H,1-11H2,(H,24,25).
What are the key properties of 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 155957111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).