tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate

C14H27N3O3 — CID 50986502

IUPACtert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-8-4-5-12(18)17-9-6-11(15)7-10-17/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyLVZKPMUNZXCKKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate

tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate (PubChem CID 50986502) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate
PubChem CID50986502
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-8-4-5-12(18)17-9-6-11(15)7-10-17/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyLVZKPMUNZXCKKX-UHFFFAOYSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate (CID 50986502) is tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)N1CCC(N)CC1.
What is the InChIKey of tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate?
The InChIKey is LVZKPMUNZXCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-8-4-5-12(18)17-9-6-11(15)7-10-17/h11H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]carbamate is sourced from PubChem (CID 50986502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).