ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate

C16H27NO3 — CID 79920218

IUPACethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)13-4-9-17(10-5-13)14-6-11-20-16(12-14)7-3-8-16/h13-14H,2-12H2,1H3
InChIKeyBGARQCLUBNBKFP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.36
Rot. Bonds3

About ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate

ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate (PubChem CID 79920218) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
PubChem CID79920218
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)13-4-9-17(10-5-13)14-6-11-20-16(12-14)7-3-8-16/h13-14H,2-12H2,1H3
InChIKeyBGARQCLUBNBKFP-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
CID 15833866
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)azetidin-3-ol
CID 79920651

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate (CID 79920218) is ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate?
The InChIKey is BGARQCLUBNBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-19-15(18)13-4-9-17(10-5-13)14-6-11-20-16(12-14)7-3-8-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate?
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate is sourced from PubChem (CID 79920218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).