4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid

C15H22F3N3O4 — CID 122007319

IUPAC4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C15H22F3N3O4/c16-15(17,18)8-21-7-1-2-11(12(21)22)20-14(25)19-10-5-3-9(4-6-10)13(23)24/h9-11H,1-8H2,(H,23,24)(H2,19,20,25)
InChIKeyUKLGVMGNEOCHDN-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.48
Rot. Bonds4

About 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122007319) has the molecular formula C15H22F3N3O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122007319
Molecular FormulaC15H22F3N3O4
Molecular Weight365.35 g/mol
Exact Mass365.16
IUPAC Name4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C15H22F3N3O4/c16-15(17,18)8-21-7-1-2-11(12(21)22)20-14(25)19-10-5-3-9(4-6-10)13(23)24/h9-11H,1-8H2,(H,23,24)(H2,19,20,25)
InChIKeyUKLGVMGNEOCHDN-UHFFFAOYSA-N
XLogP1.48
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-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 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122007319) is 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC1CCCN(CC(F)(F)F)C1=O.
What is the InChIKey of 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UKLGVMGNEOCHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O4/c16-15(17,18)8-21-7-1-2-11(12(21)22)20-14(25)19-10-5-3-9(4-6-10)13(23)24/h9-11H,1-8H2,(H,23,24)(H2,19,20,25).
What are the key properties of 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 365.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122007319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).