tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C19H30N4O3 — CID 130449700

IUPACtert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCn1ncc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C19H30N4O3/c1-18(2,3)26-17(25)23-11-7-19(8-12-23)5-9-22(10-6-19)15-13-16(24)21(4)20-14-15/h13-14H,5-12H2,1-4H3
InChIKeyPMIWPHBWPSYUEP-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 130449700) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID130449700
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCn1ncc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C19H30N4O3/c1-18(2,3)26-17(25)23-11-7-19(8-12-23)5-9-22(10-6-19)15-13-16(24)21(4)20-14-15/h13-14H,5-12H2,1-4H3
InChIKeyPMIWPHBWPSYUEP-UHFFFAOYSA-N
XLogP2.40
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 170986544
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 1-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carboxylate
CID 58252479
tert-butyl 2-(1-phenylpyrazol-4-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146166426
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 9-(7-bromoquinoxalin-2-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 175739710
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 130449700) is tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is Cn1ncc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1=O.
What is the InChIKey of tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is PMIWPHBWPSYUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-18(2,3)26-17(25)23-11-7-19(8-12-23)5-9-22(10-6-19)15-13-16(24)21(4)20-14-15/h13-14H,5-12H2,1-4H3.
What are the key properties of tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 130449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).