propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate

C15H22BrN3O2 — CID 133360474

IUPACpropan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1cc(Br)cnc1NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C15H22BrN3O2/c1-10(2)21-15(20)19-6-4-13(5-7-19)18-14-11(3)8-12(16)9-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyFMSLVIMQOHWJGN-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.57
Rot. Bonds3

About propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate

propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 133360474) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID133360474
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Namepropan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1cc(Br)cnc1NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C15H22BrN3O2/c1-10(2)21-15(20)19-6-4-13(5-7-19)18-14-11(3)8-12(16)9-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyFMSLVIMQOHWJGN-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 133360474) is propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is Cc1cc(Br)cnc1NC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is FMSLVIMQOHWJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-10(2)21-15(20)19-6-4-13(5-7-19)18-14-11(3)8-12(16)9-17-14/h8-10,13H,4-7H2,1-3H3,(H,17,18).
What are the key properties of propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 133360474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).