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

C17H29NO3 — CID 102848049

IUPACmethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO3/c1-20-16(19)15-7-3-6-12-18(15)13-14-8-11-17(21-14)9-4-2-5-10-17/h14-15H,2-13H2,1H3
InChIKeyDIZFAUIVHNBORU-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds3

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

methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate (PubChem CID 102848049) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
PubChem CID102848049
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO3/c1-20-16(19)15-7-3-6-12-18(15)13-14-8-11-17(21-14)9-4-2-5-10-17/h14-15H,2-13H2,1H3
InChIKeyDIZFAUIVHNBORU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-2-carboxylate?
The IUPAC name of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate (CID 102848049) is methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate?
The InChIKey is DIZFAUIVHNBORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-16(19)15-7-3-6-12-18(15)13-14-8-11-17(21-14)9-4-2-5-10-17/h14-15H,2-13H2,1H3.
What are the key properties of methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate?
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 2.90, 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-2-carboxylate is sourced from PubChem (CID 102848049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).