tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C16H23N3O3 — CID 53256500

IUPACtert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-6-7-12(11-19)18-14(20)13-8-4-5-9-17-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyDBAXEMVCZVGTHL-GFCCVEGCSA-N
MW305.38 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 53256500) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID53256500
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-6-7-12(11-19)18-14(20)13-8-4-5-9-17-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyDBAXEMVCZVGTHL-GFCCVEGCSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 53256500) is tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1.
What is the InChIKey of tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is DBAXEMVCZVGTHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-6-7-12(11-19)18-14(20)13-8-4-5-9-17-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).