methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate

C16H27NO4 — CID 115536896

IUPACmethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-19-15(18)14-4-2-3-8-17(14)13-5-9-21-16(12-13)6-10-20-11-7-16/h13-14H,2-12H2,1H3
InChIKeyGFWUZKUZRMVDAZ-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.74
Rot. Bonds2

About methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate (PubChem CID 115536896) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
PubChem CID115536896
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Namemethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-19-15(18)14-4-2-3-8-17(14)13-5-9-21-16(12-13)6-10-20-11-7-16/h13-14H,2-12H2,1H3
InChIKeyGFWUZKUZRMVDAZ-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422
methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
CID 112632907
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
CID 79905876
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate (CID 115536896) is methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C1CCOC2(CCOCC2)C1.
What is the InChIKey of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate?
The InChIKey is GFWUZKUZRMVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-19-15(18)14-4-2-3-8-17(14)13-5-9-21-16(12-13)6-10-20-11-7-16/h13-14H,2-12H2,1H3.
What are the key properties of methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate?
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115536896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).