7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

C18H32N2O2 — CID 129073796

IUPAC7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-4-20-13-16(22-18(8-9-18)17(20)21)15-6-11-19(12-7-15)10-5-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyGFJZNWPQOGFYAD-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.52
Rot. Bonds5

About 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129073796) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129073796
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-4-20-13-16(22-18(8-9-18)17(20)21)15-6-11-19(12-7-15)10-5-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyGFJZNWPQOGFYAD-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one with MolForge

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Related Compounds

US10927128, Example 49
CID 135332689
US10927128, Example 1
CID 135332692
US10927128, Example 10
CID 135332699
US10927128, Example 60
CID 135332708
US10927128, Example 2
CID 135332709
US10927128, Example 59
CID 135332721
US10927128, Example 3
CID 135332743
US10927128, Example 44
CID 135332744
US10927128, Example 15
CID 135332751
US10927128, Example 56
CID 135332756
US10927128, Example 58
CID 135332786
US10927128, Example 7
CID 135332788

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129073796) is 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is CCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1=O.
What is the InChIKey of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is GFJZNWPQOGFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-20-13-16(22-18(8-9-18)17(20)21)15-6-11-19(12-7-15)10-5-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 308.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129073796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).