tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate

C16H29N3O3 — CID 24689383

IUPACtert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCCNC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-9-5-6-12(11-19)14(20)18-13-7-4-8-17-10-13/h12-13,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIMRAFYPVKALUBJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.50
Rot. Bonds2

About tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 24689383) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID24689383
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCCNC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-9-5-6-12(11-19)14(20)18-13-7-4-8-17-10-13/h12-13,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIMRAFYPVKALUBJ-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate (CID 24689383) is tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCCNC2)C1.
What is the InChIKey of tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is IMRAFYPVKALUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-9-5-6-12(11-19)14(20)18-13-7-4-8-17-10-13/h12-13,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(piperidin-3-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 24689383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).