4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C14H20ClN3O — CID 138382286

IUPAC4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1ccc(Cl)cn1)CCO2
InChIInChI=1S/C14H20ClN3O/c1-17-6-4-14(5-7-17)11-18(8-9-19-14)13-3-2-12(15)10-16-13/h2-3,10H,4-9,11H2,1H3
InChIKeyWASTVUOPHACJAU-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.04
Rot. Bonds1

About 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138382286) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138382286
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1ccc(Cl)cn1)CCO2
InChIInChI=1S/C14H20ClN3O/c1-17-6-4-14(5-7-17)11-18(8-9-19-14)13-3-2-12(15)10-16-13/h2-3,10H,4-9,11H2,1H3
InChIKeyWASTVUOPHACJAU-UHFFFAOYSA-N
XLogP2.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-chloro-2-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 56749174
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
6-(6-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
CID 121202344
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 154921869
9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450950

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138382286) is 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CN(c1ccc(Cl)cn1)CCO2.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WASTVUOPHACJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-6-4-14(5-7-17)11-18(8-9-19-14)13-3-2-12(15)10-16-13/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 281.79 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138382286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).