9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane

C19H25N3S — CID 118746992

IUPAC9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C19H25N3S/c1-2-9-20-17(5-1)13-21-10-4-7-19(15-21)8-11-22(16-19)14-18-6-3-12-23-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2
InChIKeyOGFPZOMLLGDHGQ-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.63
Rot. Bonds4

About 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane

9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 118746992) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID118746992
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C19H25N3S/c1-2-9-20-17(5-1)13-21-10-4-7-19(15-21)8-11-22(16-19)14-18-6-3-12-23-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2
InChIKeyOGFPZOMLLGDHGQ-UHFFFAOYSA-N
XLogP3.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
2,4-Di(pyridin-3-yl)thiazole
CID 2725997
2-[5-(2-Pyridyl)-2-thienyl]pyridine
CID 2801704
3-[4-(4-Thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridine
CID 10685233
1-Methyl-4-(2-thiophen-3-yl-pyridin-4-yl)-piperazine
CID 25218146
2-(3-Thienyl)pyridine
CID 88862
[3-(Dimethylamino)propyl][(3-methyl(2-thienyl))methyl](2-pyridylmethyl)amine
CID 25910602
2-Methyl-6-[(5-thien-2-ylpyridin-3-yl)ethynyl]pyridine
CID 44392452
4-[5-(1-Methyl-piperidin-4-yl)-2-thiophen-3-yl-1H-pyrrol-3-yl]-pyridine
CID 44399576
1-methyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906798
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554

Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 118746992) is 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane is c1ccc(CN2CCCC3(CCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is OGFPZOMLLGDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-2-9-20-17(5-1)13-21-10-4-7-19(15-21)8-11-22(16-19)14-18-6-3-12-23-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2.
What are the key properties of 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 327.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118746992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).