methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate

C17H29NO3 — CID 102848053

IUPACmethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H29NO3/c1-20-16(19)14-6-11-18(12-7-14)13-15-5-10-17(21-15)8-3-2-4-9-17/h14-15H,2-13H2,1H3
InChIKeyQZBHDNRJKIJALJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.75
Rot. Bonds3

About methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate

methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 102848053) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate
PubChem CID102848053
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H29NO3/c1-20-16(19)14-6-11-18(12-7-14)13-15-5-10-17(21-15)8-3-2-4-9-17/h14-15H,2-13H2,1H3
InChIKeyQZBHDNRJKIJALJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate (CID 102848053) is methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is QZBHDNRJKIJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-16(19)14-6-11-18(12-7-14)13-15-5-10-17(21-15)8-3-2-4-9-17/h14-15H,2-13H2,1H3.
What are the key properties of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate?
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 102848053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).