3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane

C16H26N4OS — CID 131641802

IUPAC3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(c4nccs4)CC3)C2)CC1
InChIInChI=1S/C16H26N4OS/c1-18-7-9-19(10-8-18)14-12-16(21-13-14)2-5-20(6-3-16)15-17-4-11-22-15/h4,11,14H,2-3,5-10,12-13H2,1H3
InChIKeyRQJBKNKZXOBIFD-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.52
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane

3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131641802) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131641802
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(c4nccs4)CC3)C2)CC1
InChIInChI=1S/C16H26N4OS/c1-18-7-9-19(10-8-18)14-12-16(21-13-14)2-5-20(6-3-16)15-17-4-11-22-15/h4,11,14H,2-3,5-10,12-13H2,1H3
InChIKeyRQJBKNKZXOBIFD-UHFFFAOYSA-N
XLogP1.52
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
(3S)-3-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97372125
(3R)-3-(4-methylpiperazin-1-yl)-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97372136
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 131650153
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
3-(4-methylpiperazin-1-yl)-8-[(1-methylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 134074005
N-(4-methoxyphenyl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651487
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155825876

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane (CID 131641802) is 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane is CN1CCN(C2COC3(CCN(c4nccs4)CC3)C2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is RQJBKNKZXOBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-18-7-9-19(10-8-18)14-12-16(21-13-14)2-5-20(6-3-16)15-17-4-11-22-15/h4,11,14H,2-3,5-10,12-13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane?
3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 322.48 g/mol, XLogP of 1.52, 2 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)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131641802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).