ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid

C22H24F3N3O5 — CID 67169463

IUPACethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid
SMILESCCN(Cc1ccnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1)C(=O)O
InChIInChI=1S/C22H24F3N3O5/c1-2-27(21(30)31)14-15-6-9-26-19(12-15)20(29)28-10-7-16(8-11-28)32-17-4-3-5-18(13-17)33-22(23,24)25/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,30,31)
InChIKeyHVTWFPBGHRAAMF-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.16
Rot. Bonds7

About ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid

ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid (PubChem CID 67169463) has the molecular formula C22H24F3N3O5 and a molecular weight of 467.44 g/mol. Its IUPAC name is ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid
PubChem CID67169463
Molecular FormulaC22H24F3N3O5
Molecular Weight467.44 g/mol
Exact Mass467.17
IUPAC Nameethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid
SMILESCCN(Cc1ccnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1)C(=O)O
InChIInChI=1S/C22H24F3N3O5/c1-2-27(21(30)31)14-15-6-9-26-19(12-15)20(29)28-10-7-16(8-11-28)32-17-4-3-5-18(13-17)33-22(23,24)25/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,30,31)
InChIKeyHVTWFPBGHRAAMF-UHFFFAOYSA-N
XLogP4.16
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic 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 ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid?
The IUPAC name of ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid (CID 67169463) is ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid.
What is the SMILES notation for ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid?
The canonical SMILES for ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid is CCN(Cc1ccnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1)C(=O)O.
What is the InChIKey of ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid?
The InChIKey is HVTWFPBGHRAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5/c1-2-27(21(30)31)14-15-6-9-26-19(12-15)20(29)28-10-7-16(8-11-28)32-17-4-3-5-18(13-17)33-22(23,24)25/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,30,31).
What are the key properties of ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid?
ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid has a molecular weight of 467.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-4-pyridinyl]methyl]carbamic acid is sourced from PubChem (CID 67169463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).