1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane

C18H29N3O2 — CID 97493557

IUPAC1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C18H29N3O2/c1-22-14-13-21-10-4-6-18(21)7-11-20(12-8-18)15-16-5-3-9-19-17(16)23-2/h3,5,9H,4,6-8,10-15H2,1-2H3
InChIKeyBLMUSDPEIGMOAH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane

1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97493557) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97493557
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C18H29N3O2/c1-22-14-13-21-10-4-6-18(21)7-11-20(12-8-18)15-16-5-3-9-19-17(16)23-2/h3,5,9H,4,6-8,10-15H2,1-2H3
InChIKeyBLMUSDPEIGMOAH-UHFFFAOYSA-N
XLogP2.17
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (CID 97493557) is 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is COCCN1CCCC12CCN(Cc1cccnc1OC)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is BLMUSDPEIGMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-22-14-13-21-10-4-6-18(21)7-11-20(12-8-18)15-16-5-3-9-19-17(16)23-2/h3,5,9H,4,6-8,10-15H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 319.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).