tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate

C16H23F2N3O3 — CID 137450696

IUPACtert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCN1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C(F)(F)C1
InChIInChI=1S/C16H23F2N3O3/c1-15(2,3)24-14(23)19-11-6-5-8-21(13(11)22)12-7-9-20(4)10-16(12,17)18/h5-6,8,12H,7,9-10H2,1-4H3,(H,19,23)
InChIKeyCSXPZUSIVZPOGS-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450696) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450696
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Nametert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCN1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C(F)(F)C1
InChIInChI=1S/C16H23F2N3O3/c1-15(2,3)24-14(23)19-11-6-5-8-21(13(11)22)12-7-9-20(4)10-16(12,17)18/h5-6,8,12H,7,9-10H2,1-4H3,(H,19,23)
InChIKeyCSXPZUSIVZPOGS-UHFFFAOYSA-N
XLogP2.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate (CID 137450696) is tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate is CN1CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)C(F)(F)C1.
What is the InChIKey of tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is CSXPZUSIVZPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-15(2,3)24-14(23)19-11-6-5-8-21(13(11)22)12-7-9-20(4)10-16(12,17)18/h5-6,8,12H,7,9-10H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 343.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).