tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate

C15H23N3O3 — CID 166162668

IUPACtert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
SMILESCc1ccnn(C2CCCN(C(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H23N3O3/c1-11-7-8-16-18(13(11)19)12-6-5-9-17(10-12)14(20)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyUUUDOXFIRXYCEM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate

tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate (PubChem CID 166162668) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
PubChem CID166162668
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
SMILESCc1ccnn(C2CCCN(C(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H23N3O3/c1-11-7-8-16-18(13(11)19)12-6-5-9-17(10-12)14(20)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyUUUDOXFIRXYCEM-UHFFFAOYSA-N
XLogP2.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680
tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144996243
tert-butyl (3S)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288867
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267
tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 130248062
tert-butyl 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 155376177
tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 146608405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate (CID 166162668) is tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate is Cc1ccnn(C2CCCN(C(=O)OC(C)(C)C)C2)c1=O.
What is the InChIKey of tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate?
The InChIKey is UUUDOXFIRXYCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-7-8-16-18(13(11)19)12-6-5-9-17(10-12)14(20)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166162668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).