methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate

C17H29NO3 — CID 102899988

IUPACmethyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H29NO3/c1-20-16(19)12-14-6-2-5-11-18(14)13-15-7-10-17(21-15)8-3-4-9-17/h14-15H,2-13H2,1H3
InChIKeyPKXPOYZZGCLZFF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds4

About methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate

methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate (PubChem CID 102899988) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate
PubChem CID102899988
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H29NO3/c1-20-16(19)12-14-6-2-5-11-18(14)13-15-7-10-17(21-15)8-3-4-9-17/h14-15H,2-13H2,1H3
InChIKeyPKXPOYZZGCLZFF-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate (CID 102899988) is methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate?
The InChIKey is PKXPOYZZGCLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-16(19)12-14-6-2-5-11-18(14)13-15-7-10-17(21-15)8-3-4-9-17/h14-15H,2-13H2,1H3.
What are the key properties of methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate?
methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate has a molecular weight of 295.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 102899988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).