tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane

C17H30N4O3 — CID 145279147

IUPACtert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
SMILESCC.COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O3.C2H6/c1-15(2,3)22-14(20)19-9-7-18(8-10-19)12-6-5-11(16)13(17-12)21-4;1-2/h5-6H,7-10,16H2,1-4H3;1-2H3
InChIKeyHLASFGDMEQEZBQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane

tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane (PubChem CID 145279147) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
PubChem CID145279147
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
SMILESCC.COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O3.C2H6/c1-15(2,3)22-14(20)19-9-7-18(8-10-19)12-6-5-11(16)13(17-12)21-4;1-2/h5-6H,7-10,16H2,1-4H3;1-2H3
InChIKeyHLASFGDMEQEZBQ-UHFFFAOYSA-N
XLogP2.76
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane 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 tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane (CID 145279147) is tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane is CC.COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.
What is the InChIKey of tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane?
The InChIKey is HLASFGDMEQEZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.C2H6/c1-15(2,3)22-14(20)19-9-7-18(8-10-19)12-6-5-11(16)13(17-12)21-4;1-2/h5-6H,7-10,16H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane has a molecular weight of 338.45 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 145279147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).