8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

C18H23N3OS — CID 118746916

IUPAC8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cncc(N2CCCC3(CN(Cc4cccs4)CCO3)C2)c1
InChIInChI=1S/C18H23N3OS/c1-4-16(12-19-7-1)21-8-3-6-18(15-21)14-20(9-10-22-18)13-17-5-2-11-23-17/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2
InChIKeyRGEGLUMQYUBDQR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.01
Rot. Bonds3

About 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746916) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746916
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cncc(N2CCCC3(CN(Cc4cccs4)CCO3)C2)c1
InChIInChI=1S/C18H23N3OS/c1-4-16(12-19-7-1)21-8-3-6-18(15-21)14-20(9-10-22-18)13-17-5-2-11-23-17/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2
InChIKeyRGEGLUMQYUBDQR-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746916) is 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is c1cncc(N2CCCC3(CN(Cc4cccs4)CCO3)C2)c1.
What is the InChIKey of 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is RGEGLUMQYUBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-4-16(12-19-7-1)21-8-3-6-18(15-21)14-20(9-10-22-18)13-17-5-2-11-23-17/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2.
What are the key properties of 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 329.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).