methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate

C16H27NO3 — CID 102900010

IUPACmethyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO3/c1-19-15(18)14-6-2-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3/t13?,14-/m1/s1
InChIKeyHBZYLGUQWHARNZ-ARLHGKGLSA-N
MW281.40 g/mol
LogP2.51
Rot. Bonds3

About methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate

methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate (PubChem CID 102900010) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
PubChem CID102900010
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namemethyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO3/c1-19-15(18)14-6-2-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3/t13?,14-/m1/s1
InChIKeyHBZYLGUQWHARNZ-ARLHGKGLSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 154796496
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
CID 102899176
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
CID 102900024
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate
CID 111461756
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
CID 115537925

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate (CID 102900010) is methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate?
The InChIKey is HBZYLGUQWHARNZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H27NO3/c1-19-15(18)14-6-2-5-11-17(14)12-13-7-10-16(20-13)8-3-4-9-16/h13-14H,2-12H2,1H3/t13?,14-/m1/s1.
What are the key properties of methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate?
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate is sourced from PubChem (CID 102900010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).