tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

C19H25F3N2O3 — CID 33248411

IUPACtert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)27-17(26)24-9-7-14(8-10-24)16(25)23-12-13-5-4-6-15(11-13)19(20,21)22/h4-6,11,14H,7-10,12H2,1-3H3,(H,23,25)
InChIKeyAZUBOLSPLUFANF-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 33248411) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
PubChem CID33248411
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Nametert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)27-17(26)24-9-7-14(8-10-24)16(25)23-12-13-5-4-6-15(11-13)19(20,21)22/h4-6,11,14H,7-10,12H2,1-3H3,(H,23,25)
InChIKeyAZUBOLSPLUFANF-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate (CID 33248411) is tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is AZUBOLSPLUFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-18(2,3)27-17(26)24-9-7-14(8-10-24)16(25)23-12-13-5-4-6-15(11-13)19(20,21)22/h4-6,11,14H,7-10,12H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 33248411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).