methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate

C16H24N4O3 — CID 133322299

IUPACmethyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(CN3CCOCC3)C2)nn1
InChIInChI=1S/C16H24N4O3/c1-22-16(21)14-4-5-15(18-17-14)20-6-2-3-13(12-20)11-19-7-9-23-10-8-19/h4-5,13H,2-3,6-12H2,1H3
InChIKeyBSPHQKACYUYWKJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.81
Rot. Bonds4

About methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate

methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate (PubChem CID 133322299) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
PubChem CID133322299
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemethyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(CN3CCOCC3)C2)nn1
InChIInChI=1S/C16H24N4O3/c1-22-16(21)14-4-5-15(18-17-14)20-6-2-3-13(12-20)11-19-7-9-23-10-8-19/h4-5,13H,2-3,6-12H2,1H3
InChIKeyBSPHQKACYUYWKJ-UHFFFAOYSA-N
XLogP0.81
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
methyl 3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 167829544
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133339116

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate (CID 133322299) is methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC(CN3CCOCC3)C2)nn1.
What is the InChIKey of methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is BSPHQKACYUYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-22-16(21)14-4-5-15(18-17-14)20-6-2-3-13(12-20)11-19-7-9-23-10-8-19/h4-5,13H,2-3,6-12H2,1H3.
What are the key properties of methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate?
methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 133322299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).