tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate

C16H24F2N4O2 — CID 169266352

IUPACtert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate
SMILESCc1cc(NNC(=O)OC(C)(C)C)nc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H24F2N4O2/c1-11-9-12(20-21-14(23)24-15(2,3)4)19-13(10-11)22-7-5-16(17,18)6-8-22/h9-10H,5-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyOJSHWKRBRKMHIT-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate

tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate (PubChem CID 169266352) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate
PubChem CID169266352
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Nametert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate
SMILESCc1cc(NNC(=O)OC(C)(C)C)nc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H24F2N4O2/c1-11-9-12(20-21-14(23)24-15(2,3)4)19-13(10-11)22-7-5-16(17,18)6-8-22/h9-10H,5-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyOJSHWKRBRKMHIT-UHFFFAOYSA-N
XLogP3.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate (CID 169266352) is tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate is Cc1cc(NNC(=O)OC(C)(C)C)nc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate?
The InChIKey is OJSHWKRBRKMHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-11-9-12(20-21-14(23)24-15(2,3)4)19-13(10-11)22-7-5-16(17,18)6-8-22/h9-10H,5-8H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate?
tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate has a molecular weight of 342.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]amino]carbamate is sourced from PubChem (CID 169266352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).