3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane

C23H42N2O2 — CID 170587698

IUPAC3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane
SMILESCC.CC.COc1cnc(CN2CCC3(CCCCC3)CC2)c(OC)c1C
InChIInChI=1S/C19H30N2O2.2C2H6/c1-15-17(22-2)13-20-16(18(15)23-3)14-21-11-9-19(10-12-21)7-5-4-6-8-19;2*1-2/h13H,4-12,14H2,1-3H3;2*1-2H3
InChIKeyZUFCOUKQQCOVJP-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.01
Rot. Bonds4

About 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane

3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane (PubChem CID 170587698) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Name3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane
PubChem CID170587698
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane
SMILESCC.CC.COc1cnc(CN2CCC3(CCCCC3)CC2)c(OC)c1C
InChIInChI=1S/C19H30N2O2.2C2H6/c1-15-17(22-2)13-20-16(18(15)23-3)14-21-11-9-19(10-12-21)7-5-4-6-8-19;2*1-2/h13H,4-12,14H2,1-3H3;2*1-2H3
InChIKeyZUFCOUKQQCOVJP-UHFFFAOYSA-N
XLogP6.01
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane?
The IUPAC name of 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane (CID 170587698) is 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane.
What is the SMILES notation for 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane?
The canonical SMILES for 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane is CC.CC.COc1cnc(CN2CCC3(CCCCC3)CC2)c(OC)c1C.
What is the InChIKey of 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane?
The InChIKey is ZUFCOUKQQCOVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.2C2H6/c1-15-17(22-2)13-20-16(18(15)23-3)14-21-11-9-19(10-12-21)7-5-4-6-8-19;2*1-2/h13H,4-12,14H2,1-3H3;2*1-2H3.
What are the key properties of 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane?
3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane has a molecular weight of 378.60 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxy-4-methyl-2-pyridinyl)methyl]-3-azaspiro[5.5]undecane;ethane is sourced from PubChem (CID 170587698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).