(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane

C20H31N3O2 — CID 97477757

IUPAC(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-22-12-17(13-25-14-18-4-2-3-8-21-18)20(15-22)7-9-23(16-20)19-5-10-24-11-6-19/h2-4,8,17,19H,5-7,9-16H2,1H3/t17-,20-/m1/s1
InChIKeyPKBBEYDCXYPSQS-YLJYHZDGSA-N
MW345.49 g/mol
LogP2.03
Rot. Bonds5

About (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane

(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 97477757) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID97477757
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-22-12-17(13-25-14-18-4-2-3-8-21-18)20(15-22)7-9-23(16-20)19-5-10-24-11-6-19/h2-4,8,17,19H,5-7,9-16H2,1H3/t17-,20-/m1/s1
InChIKeyPKBBEYDCXYPSQS-YLJYHZDGSA-N
XLogP2.03
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane
CID 124809519
[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(oxolan-3-yl)methanone
CID 131689100
2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
CID 124814501
(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689383
(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689406
2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124779913
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451863
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane (CID 97477757) is (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane is CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is PKBBEYDCXYPSQS-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22-12-17(13-25-14-18-4-2-3-8-21-18)20(15-22)7-9-23(16-20)19-5-10-24-11-6-19/h2-4,8,17,19H,5-7,9-16H2,1H3/t17-,20-/m1/s1.
What are the key properties of (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane?
(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 345.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97477757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).