9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C16H25N3O2 — CID 97450950

IUPAC9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C16H25N3O2/c1-20-12-10-18-8-5-16(6-9-18)14-19(11-13-21-16)15-4-2-3-7-17-15/h2-4,7H,5-6,8-14H2,1H3
InChIKeyLURJVBODMRHNKR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.40
Rot. Bonds4

About 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450950) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450950
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C16H25N3O2/c1-20-12-10-18-8-5-16(6-9-18)14-19(11-13-21-16)15-4-2-3-7-17-15/h2-4,7H,5-6,8-14H2,1H3
InChIKeyLURJVBODMRHNKR-UHFFFAOYSA-N
XLogP1.40
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450937
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
9-[(2-methoxy-3-pyridinyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747101
(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 97452416
tert-butyl 3-[2-[4-[(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl]phenyl]ethoxy]propanoate
CID 142313768
(3-methoxy-1,2-oxazol-5-yl)-(4-pyridin-2-yl-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl)methanone
CID 155876765
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
9-[2-(2-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118567758
(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492059
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450950) is 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is COCCN1CCC2(CC1)CN(c1ccccn1)CCO2.
What is the InChIKey of 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LURJVBODMRHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-12-10-18-8-5-16(6-9-18)14-19(11-13-21-16)15-4-2-3-7-17-15/h2-4,7H,5-6,8-14H2,1H3.
What are the key properties of 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 291.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).