9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C18H21N3OS — CID 118746290

IUPAC9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(Cc1cccnc1)C2
InChIInChI=1S/C18H21N3OS/c22-17-18(6-9-21(17)16-4-10-23-13-16)5-2-8-20(14-18)12-15-3-1-7-19-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2
InChIKeyMGMOLEYSAQIFTR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.16
Rot. Bonds3

About 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118746290) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118746290
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(Cc1cccnc1)C2
InChIInChI=1S/C18H21N3OS/c22-17-18(6-9-21(17)16-4-10-23-13-16)5-2-8-20(14-18)12-15-3-1-7-19-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2
InChIKeyMGMOLEYSAQIFTR-UHFFFAOYSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118746290) is 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccsc2)CCC12CCCN(Cc1cccnc1)C2.
What is the InChIKey of 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MGMOLEYSAQIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17-18(6-9-21(17)16-4-10-23-13-16)5-2-8-20(14-18)12-15-3-1-7-19-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2.
What are the key properties of 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 327.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-3-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118746290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).