tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate

C16H29N3O3 — CID 50986420

IUPACtert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-12(5-9-19)14(20)18-10-6-13(17)7-11-18/h12-13H,4-11,17H2,1-3H3
InChIKeyUHCAKLUONMKHOM-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.58
Rot. Bonds1

About tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 50986420) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID50986420
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-12(5-9-19)14(20)18-10-6-13(17)7-11-18/h12-13H,4-11,17H2,1-3H3
InChIKeyUHCAKLUONMKHOM-UHFFFAOYSA-N
XLogP1.58
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate (CID 50986420) is tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is UHCAKLUONMKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-12(5-9-19)14(20)18-10-6-13(17)7-11-18/h12-13H,4-11,17H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 50986420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).