(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C20H25N3O — CID 124965584

IUPAC(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)CO2)nc1
InChIInChI=1S/C20H25N3O/c1-3-9-21-17(5-1)13-19-14-20(16-24-19)7-11-23(12-8-20)15-18-6-2-4-10-22-18/h1-6,9-10,19H,7-8,11-16H2/t19-/m1/s1
InChIKeyIFVZOZJAWOAYQP-LJQANCHMSA-N
MW323.44 g/mol
LogP3.09
Rot. Bonds4

About (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 124965584) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID124965584
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)CO2)nc1
InChIInChI=1S/C20H25N3O/c1-3-9-21-17(5-1)13-19-14-20(16-24-19)7-11-23(12-8-20)15-18-6-2-4-10-22-18/h1-6,9-10,19H,7-8,11-16H2/t19-/m1/s1
InChIKeyIFVZOZJAWOAYQP-LJQANCHMSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-8-[(3-methylimidazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960859
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131651226
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131645218
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040

Frequently Asked Questions

What is the IUPAC name of (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 124965584) is (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is c1ccc(C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)CO2)nc1.
What is the InChIKey of (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is IFVZOZJAWOAYQP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-9-21-17(5-1)13-19-14-20(16-24-19)7-11-23(12-8-20)15-18-6-2-4-10-22-18/h1-6,9-10,19H,7-8,11-16H2/t19-/m1/s1.
What are the key properties of (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 323.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124965584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).