tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate

C20H32N4O3 — CID 170182115

IUPACtert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC1CCN(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)24-11-7-15(8-12-24)17-5-6-18(22-21-17)23-13-9-16(26-4)10-14-23/h5-6,15-16H,7-14H2,1-4H3
InChIKeyVLRWJHUQCQYKCW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate (PubChem CID 170182115) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
PubChem CID170182115
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Nametert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC1CCN(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)24-11-7-15(8-12-24)17-5-6-18(22-21-17)23-13-9-16(26-4)10-14-23/h5-6,15-16H,7-14H2,1-4H3
InChIKeyVLRWJHUQCQYKCW-UHFFFAOYSA-N
XLogP3.21
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate (CID 170182115) is tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate is COC1CCN(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1.
What is the InChIKey of tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate?
The InChIKey is VLRWJHUQCQYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-20(2,3)27-19(25)24-11-7-15(8-12-24)17-5-6-18(22-21-17)23-13-9-16(26-4)10-14-23/h5-6,15-16H,7-14H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 170182115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).