ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate

C15H27NO3 — CID 64541395

IUPACethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(C1CCOCC1)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(17)12-14(13-6-10-18-11-7-13)16-8-4-3-5-9-16/h13-14H,2-12H2,1H3
InChIKeyWQFYPVGYAPGASZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds5

About ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate

ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate (PubChem CID 64541395) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate
PubChem CID64541395
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(C1CCOCC1)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(17)12-14(13-6-10-18-11-7-13)16-8-4-3-5-9-16/h13-14H,2-12H2,1H3
InChIKeyWQFYPVGYAPGASZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(azepan-1-yl)-3-(oxolan-3-yl)propanoate
CID 64528026
ethyl 3-(azepan-1-yl)-3-cyclopropylpropanoate
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diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
ethyl 3-(azepan-1-yl)hexanoate
CID 64528200
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62384679
ethyl (3S)-3-(1-methylpyrazol-4-yl)-3-(oxan-4-yl)propanoate
CID 129409435
ethyl 4-piperidin-1-ylpentanoate
CID 67188448
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate (CID 64541395) is ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate is CCOC(=O)CC(C1CCOCC1)N1CCCCC1.
What is the InChIKey of ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate?
The InChIKey is WQFYPVGYAPGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-15(17)12-14(13-6-10-18-11-7-13)16-8-4-3-5-9-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate?
ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate has a molecular weight of 269.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 64541395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).