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

C18H34N2O — CID 129053748

IUPAC7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1
InChIInChI=1S/C18H34N2O/c1-4-19-13-17(21-18(14-19)8-9-18)16-6-11-20(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeySYRMTRJVSFHGGC-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.00
Rot. Bonds5

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

7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 129053748) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
PubChem CID129053748
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1
InChIInChI=1S/C18H34N2O/c1-4-19-13-17(21-18(14-19)8-9-18)16-6-11-20(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeySYRMTRJVSFHGGC-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane (CID 129053748) is 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane is CCN1CC(C2CCN(CCC(C)C)CC2)OC2(CC2)C1.
What is the InChIKey of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is SYRMTRJVSFHGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-19-13-17(21-18(14-19)8-9-18)16-6-11-20(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
7-ethyl-5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 294.48 g/mol, XLogP of 3.00, 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]octane is sourced from PubChem (CID 129053748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).