tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C18H26N4O4 — CID 121344507

IUPACtert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCn1nc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)ccc1=O
InChIInChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-10-7-18(8-11-21)9-12-22(15(18)24)13-5-6-14(23)20(4)19-13/h5-6H,7-12H2,1-4H3
InChIKeyOZRJADURNRLBAN-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.53
Rot. Bonds1

About tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 121344507) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID121344507
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nametert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCn1nc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)ccc1=O
InChIInChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-10-7-18(8-11-21)9-12-22(15(18)24)13-5-6-14(23)20(4)19-13/h5-6H,7-12H2,1-4H3
InChIKeyOZRJADURNRLBAN-UHFFFAOYSA-N
XLogP1.53
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 121344507) is tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is Cn1nc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)ccc1=O.
What is the InChIKey of tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is OZRJADURNRLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-10-7-18(8-11-21)9-12-22(15(18)24)13-5-6-14(23)20(4)19-13/h5-6H,7-12H2,1-4H3.
What are the key properties of tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 121344507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).