tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate

C19H23F2N3O4 — CID 169209386

IUPACtert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(F)(F)Oc2ccccc2C#N)CC1
InChIInChI=1S/C19H23F2N3O4/c1-18(2,3)28-17(26)24-10-8-14(9-11-24)23-16(25)19(20,21)27-15-7-5-4-6-13(15)12-22/h4-7,14H,8-11H2,1-3H3,(H,23,25)
InChIKeyDVWXMPYEIGEAPH-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate (PubChem CID 169209386) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate
PubChem CID169209386
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Nametert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(F)(F)Oc2ccccc2C#N)CC1
InChIInChI=1S/C19H23F2N3O4/c1-18(2,3)28-17(26)24-10-8-14(9-11-24)23-16(25)19(20,21)27-15-7-5-4-6-13(15)12-22/h4-7,14H,8-11H2,1-3H3,(H,23,25)
InChIKeyDVWXMPYEIGEAPH-UHFFFAOYSA-N
XLogP3.05
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525
tert-butyl 4-[(2-cyanophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 71629903
tert-butyl 4-(2-cyanophenyl)sulfonylpiperidine-1-carboxylate
CID 53404123
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-(4-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 67188470
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate (CID 169209386) is tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C(F)(F)Oc2ccccc2C#N)CC1.
What is the InChIKey of tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate?
The InChIKey is DVWXMPYEIGEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-18(2,3)28-17(26)24-10-8-14(9-11-24)23-16(25)19(20,21)27-15-7-5-4-6-13(15)12-22/h4-7,14H,8-11H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate has a molecular weight of 395.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2-cyanophenoxy)-2,2-difluoroacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 169209386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).