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

C17H27N3O — CID 97396865

IUPAC1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C17H27N3O/c1-3-20-11-5-7-17(20)8-12-19(13-9-17)14-15-6-4-10-18-16(15)21-2/h4,6,10H,3,5,7-9,11-14H2,1-2H3
InChIKeyLTPQFJOYLSNVEH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.54
Rot. Bonds4

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

1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396865) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396865
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCCN1CCCC12CCN(Cc1cccnc1OC)CC2
InChIInChI=1S/C17H27N3O/c1-3-20-11-5-7-17(20)8-12-19(13-9-17)14-15-6-4-10-18-16(15)21-2/h4,6,10H,3,5,7-9,11-14H2,1-2H3
InChIKeyLTPQFJOYLSNVEH-UHFFFAOYSA-N
XLogP2.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396865) is 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is CCN1CCCC12CCN(Cc1cccnc1OC)CC2.
What is the InChIKey of 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is LTPQFJOYLSNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20-11-5-7-17(20)8-12-19(13-9-17)14-15-6-4-10-18-16(15)21-2/h4,6,10H,3,5,7-9,11-14H2,1-2H3.
What are the key properties of 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane?
1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 289.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-[(2-methoxy-3-pyridinyl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).