tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate

C18H24F2N2O3 — CID 2810467

IUPACtert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H24F2N2O3/c1-18(2,3)25-17(24)22-8-6-12(7-9-22)11-21-16(23)14-5-4-13(19)10-15(14)20/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyOBHAGQTZUZYKQQ-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 2810467) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate
PubChem CID2810467
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Nametert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H24F2N2O3/c1-18(2,3)25-17(24)22-8-6-12(7-9-22)11-21-16(23)14-5-4-13(19)10-15(14)20/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyOBHAGQTZUZYKQQ-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate (CID 2810467) is tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is OBHAGQTZUZYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-18(2,3)25-17(24)22-8-6-12(7-9-22)11-21-16(23)14-5-4-13(19)10-15(14)20/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 354.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2810467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).