methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate

C16H27NO3 — CID 115537477

IUPACmethyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H27NO3/c1-19-15(18)13-5-4-9-17(12-13)14-6-10-20-16(11-14)7-2-3-8-16/h13-14H,2-12H2,1H3/t13-,14?/m0/s1
InChIKeyCBMOJLOSEVNCKD-LSLKUGRBSA-N
MW281.40 g/mol
LogP2.36
Rot. Bonds2

About methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate

methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate (PubChem CID 115537477) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
PubChem CID115537477
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namemethyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H27NO3/c1-19-15(18)13-5-4-9-17(12-13)14-6-10-20-16(11-14)7-2-3-8-16/h13-14H,2-12H2,1H3/t13-,14?/m0/s1
InChIKeyCBMOJLOSEVNCKD-LSLKUGRBSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate (CID 115537477) is methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate?
The InChIKey is CBMOJLOSEVNCKD-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H27NO3/c1-19-15(18)13-5-4-9-17(12-13)14-6-10-20-16(11-14)7-2-3-8-16/h13-14H,2-12H2,1H3/t13-,14?/m0/s1.
What are the key properties of methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate?
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate is sourced from PubChem (CID 115537477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).