N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C17H31N3O2 — CID 69153960

IUPACN-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)(C)N1CCCC(NC(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-8-4-5-12(11-19)18-16(22)20-13-6-7-14(20)10-15(21)9-13/h12-15,21H,4-11H2,1-3H3,(H,18,22)
InChIKeyQVMZLWHEFJYVRG-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.95
Rot. Bonds1

About N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 69153960) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID69153960
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)(C)N1CCCC(NC(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-8-4-5-12(11-19)18-16(22)20-13-6-7-14(20)10-15(21)9-13/h12-15,21H,4-11H2,1-3H3,(H,18,22)
InChIKeyQVMZLWHEFJYVRG-UHFFFAOYSA-N
XLogP1.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 69153960) is N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(C)(C)N1CCCC(NC(=O)N2C3CCC2CC(O)C3)C1.
What is the InChIKey of N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is QVMZLWHEFJYVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)19-8-4-5-12(11-19)18-16(22)20-13-6-7-14(20)10-15(21)9-13/h12-15,21H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 69153960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).