4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H21N3O2S — CID 97471465

IUPAC4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3cccs3)CC2)CN1c1cccnc1
InChIInChI=1S/C18H21N3O2S/c22-17-13-23-18(14-21(17)15-3-1-7-19-11-15)5-8-20(9-6-18)12-16-4-2-10-24-16/h1-4,7,10-11H,5-6,8-9,12-14H2
InChIKeyHOBIEEMLYDKZCD-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.54
Rot. Bonds3

About 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471465) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471465
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3cccs3)CC2)CN1c1cccnc1
InChIInChI=1S/C18H21N3O2S/c22-17-13-23-18(14-21(17)15-3-1-7-19-11-15)5-8-20(9-6-18)12-16-4-2-10-24-16/h1-4,7,10-11H,5-6,8-9,12-14H2
InChIKeyHOBIEEMLYDKZCD-UHFFFAOYSA-N
XLogP2.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471465) is 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3cccs3)CC2)CN1c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HOBIEEMLYDKZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17-13-23-18(14-21(17)15-3-1-7-19-11-15)5-8-20(9-6-18)12-16-4-2-10-24-16/h1-4,7,10-11H,5-6,8-9,12-14H2.
What are the key properties of 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 343.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).