tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate

C17H22F2N2O3 — CID 9209463

IUPACtert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c1-17(2,3)24-16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)
InChIKeyGIYXADHQRKMMDT-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 9209463) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID9209463
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Nametert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c1-17(2,3)24-16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)
InChIKeyGIYXADHQRKMMDT-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.55
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-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 9209463) is tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is GIYXADHQRKMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-17(2,3)24-16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 340.37 g/mol, XLogP of 3.55, 2 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-difluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 9209463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).