tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate

C15H22F2N4O3 — CID 177056999

IUPACtert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1
InChIInChI=1S/C15H22F2N4O3/c1-15(2,3)24-14(22)21-6-4-10(5-7-21)20-13-18-8-11(9-19-13)23-12(16)17/h8-10,12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyAWVQUSUBYMGJAL-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 177056999) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID177056999
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1
InChIInChI=1S/C15H22F2N4O3/c1-15(2,3)24-14(22)21-6-4-10(5-7-21)20-13-18-8-11(9-19-13)23-12(16)17/h8-10,12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyAWVQUSUBYMGJAL-UHFFFAOYSA-N
XLogP2.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 177056999) is tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1.
What is the InChIKey of tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is AWVQUSUBYMGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-15(2,3)24-14(22)21-6-4-10(5-7-21)20-13-18-8-11(9-19-13)23-12(16)17/h8-10,12H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 344.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 177056999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).