methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate

C25H26F4N2O3 — CID 71204702

IUPACmethyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)[C@H]3CC(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C25H26F4N2O3/c1-34-23(33)17-4-8-18(9-5-17)24(11-12-24)30-22(32)21-14-20(26)10-13-31(21)15-16-2-6-19(7-3-16)25(27,28)29/h2-9,20-21H,10-15H2,1H3,(H,30,32)/t20?,21-/m1/s1
InChIKeyDIMYXVXBVBZMRM-BPGUCPLFSA-N
MW478.49 g/mol
LogP4.60
Rot. Bonds6

About methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate

methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate (PubChem CID 71204702) has the molecular formula C25H26F4N2O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate
PubChem CID71204702
Molecular FormulaC25H26F4N2O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Namemethyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)[C@H]3CC(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C25H26F4N2O3/c1-34-23(33)17-4-8-18(9-5-17)24(11-12-24)30-22(32)21-14-20(26)10-13-31(21)15-16-2-6-19(7-3-16)25(27,28)29/h2-9,20-21H,10-15H2,1H3,(H,30,32)/t20?,21-/m1/s1
InChIKeyDIMYXVXBVBZMRM-BPGUCPLFSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate 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 methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate?
The IUPAC name of methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate (CID 71204702) is methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate.
What is the SMILES notation for methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate?
The canonical SMILES for methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate is COC(=O)c1ccc(C2(NC(=O)[C@H]3CC(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate?
The InChIKey is DIMYXVXBVBZMRM-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H26F4N2O3/c1-34-23(33)17-4-8-18(9-5-17)24(11-12-24)30-22(32)21-14-20(26)10-13-31(21)15-16-2-6-19(7-3-16)25(27,28)29/h2-9,20-21H,10-15H2,1H3,(H,30,32)/t20?,21-/m1/s1.
What are the key properties of methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate?
methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate has a molecular weight of 478.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate is sourced from PubChem (CID 71204702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).