9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane

C23H37N3O2 — CID 45222559

IUPAC9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(C3CCN(c4ccc(OC)cc4)CC3)C2)C1
InChIInChI=1S/C23H37N3O2/c1-27-17-16-24-12-3-10-23(18-24)11-15-26(19-23)21-8-13-25(14-9-21)20-4-6-22(28-2)7-5-20/h4-7,21H,3,8-19H2,1-2H3
InChIKeyZRKBAWRFZBWEOF-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.10
Rot. Bonds6

About 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane

9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane (PubChem CID 45222559) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
PubChem CID45222559
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(C3CCN(c4ccc(OC)cc4)CC3)C2)C1
InChIInChI=1S/C23H37N3O2/c1-27-17-16-24-12-3-10-23(18-24)11-15-26(19-23)21-8-13-25(14-9-21)20-4-6-22(28-2)7-5-20/h4-7,21H,3,8-19H2,1-2H3
InChIKeyZRKBAWRFZBWEOF-UHFFFAOYSA-N
XLogP3.10
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane (CID 45222559) is 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(C3CCN(c4ccc(OC)cc4)CC3)C2)C1.
What is the InChIKey of 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The InChIKey is ZRKBAWRFZBWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-27-17-16-24-12-3-10-23(18-24)11-15-26(19-23)21-8-13-25(14-9-21)20-4-6-22(28-2)7-5-20/h4-7,21H,3,8-19H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane has a molecular weight of 387.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45222559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).