tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate

C26H30ClF3N2O3 — CID 69151295

IUPACtert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H30ClF3N2O3/c1-25(2,3)35-24(34)31-22(16-17-8-10-19(27)11-9-17)23(33)32-14-12-18(13-15-32)20-6-4-5-7-21(20)26(28,29)30/h4-11,18,22H,12-16H2,1-3H3,(H,31,34)/t22-/m1/s1
InChIKeyIQVRXSRHLDFXCY-JOCHJYFZSA-N
MW510.98 g/mol
LogP6.20
Rot. Bonds5

About tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 69151295) has the molecular formula C26H30ClF3N2O3 and a molecular weight of 510.98 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate
PubChem CID69151295
Molecular FormulaC26H30ClF3N2O3
Molecular Weight510.98 g/mol
Exact Mass510.19
IUPAC Nametert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H30ClF3N2O3/c1-25(2,3)35-24(34)31-22(16-17-8-10-19(27)11-9-17)23(33)32-14-12-18(13-15-32)20-6-4-5-7-21(20)26(28,29)30/h4-11,18,22H,12-16H2,1-3H3,(H,31,34)/t22-/m1/s1
InChIKeyIQVRXSRHLDFXCY-JOCHJYFZSA-N
XLogP6.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.98
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate 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 tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate (CID 69151295) is tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is IQVRXSRHLDFXCY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30ClF3N2O3/c1-25(2,3)35-24(34)31-22(16-17-8-10-19(27)11-9-17)23(33)32-14-12-18(13-15-32)20-6-4-5-7-21(20)26(28,29)30/h4-11,18,22H,12-16H2,1-3H3,(H,31,34)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 510.98 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 69151295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).