3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane

C19H31N5O — CID 134072596

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(N2CCCC3(CC(CN4CCN(C)CC4)CO3)C2)nn1
InChIInChI=1S/C19H31N5O/c1-16-4-5-18(21-20-16)24-7-3-6-19(15-24)12-17(14-25-19)13-23-10-8-22(2)9-11-23/h4-5,17H,3,6-15H2,1-2H3
InChIKeyKPBNSNYVAKQZRD-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.41
Rot. Bonds3

About 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane

3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 134072596) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID134072596
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(N2CCCC3(CC(CN4CCN(C)CC4)CO3)C2)nn1
InChIInChI=1S/C19H31N5O/c1-16-4-5-18(21-20-16)24-7-3-6-19(15-24)12-17(14-25-19)13-23-10-8-22(2)9-11-23/h4-5,17H,3,6-15H2,1-2H3
InChIKeyKPBNSNYVAKQZRD-UHFFFAOYSA-N
XLogP1.41
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134074991
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
7-(6-methylpyridazin-3-yl)-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 134077281
8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482
11-methyl-2-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072674
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97492248
1-[3-[(4-methylpiperazin-1-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155856122
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane (CID 134072596) is 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane is Cc1ccc(N2CCCC3(CC(CN4CCN(C)CC4)CO3)C2)nn1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is KPBNSNYVAKQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16-4-5-18(21-20-16)24-7-3-6-19(15-24)12-17(14-25-19)13-23-10-8-22(2)9-11-23/h4-5,17H,3,6-15H2,1-2H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane?
3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 345.49 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 134072596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).