oxan-4-yl 3-piperidin-2-ylpropanoate

C13H23NO3 — CID 62217058

IUPACoxan-4-yl 3-piperidin-2-ylpropanoate
SMILESO=C(CCC1CCCCN1)OC1CCOCC1
InChIInChI=1S/C13H23NO3/c15-13(17-12-6-9-16-10-7-12)5-4-11-3-1-2-8-14-11/h11-12,14H,1-10H2
InChIKeyFMNOLONQNJJIOG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds4

About oxan-4-yl 3-piperidin-2-ylpropanoate

oxan-4-yl 3-piperidin-2-ylpropanoate (PubChem CID 62217058) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxan-4-yl 3-piperidin-2-ylpropanoate.

Molecular Properties

Compound Nameoxan-4-yl 3-piperidin-2-ylpropanoate
PubChem CID62217058
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxan-4-yl 3-piperidin-2-ylpropanoate
SMILESO=C(CCC1CCCCN1)OC1CCOCC1
InChIInChI=1S/C13H23NO3/c15-13(17-12-6-9-16-10-7-12)5-4-11-3-1-2-8-14-11/h11-12,14H,1-10H2
InChIKeyFMNOLONQNJJIOG-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
(3,3,5-trimethylcyclohexyl) 3-piperidin-2-ylpropanoate
CID 63541867
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
CID 107138340
3-(azepan-2-yl)propanoic acid
CID 69475849
cyclohexyl 2-pyrrolidin-2-ylacetate
CID 61372710
2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
1-methoxy-4-piperidin-2-ylbutan-2-one
CID 116563611
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one
CID 116563781
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
N-(oxan-4-ylmethyl)-2-piperidin-2-ylacetamide
CID 55226266
cyclopentyl 3-cyclopentylpropanoate
CID 534685

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 3-piperidin-2-ylpropanoate?
The IUPAC name of oxan-4-yl 3-piperidin-2-ylpropanoate (CID 62217058) is oxan-4-yl 3-piperidin-2-ylpropanoate.
What is the SMILES notation for oxan-4-yl 3-piperidin-2-ylpropanoate?
The canonical SMILES for oxan-4-yl 3-piperidin-2-ylpropanoate is O=C(CCC1CCCCN1)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 3-piperidin-2-ylpropanoate?
The InChIKey is FMNOLONQNJJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-13(17-12-6-9-16-10-7-12)5-4-11-3-1-2-8-14-11/h11-12,14H,1-10H2.
What are the key properties of oxan-4-yl 3-piperidin-2-ylpropanoate?
oxan-4-yl 3-piperidin-2-ylpropanoate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-piperidin-2-ylpropanoate is sourced from PubChem (CID 62217058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).