3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one

C17H23NO3 — CID 141195466

IUPAC3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOc1ccc2c(c1)CCCO2)N1CCCCC1
InChIInChI=1S/C17H23NO3/c19-17(18-9-2-1-3-10-18)8-12-20-15-6-7-16-14(13-15)5-4-11-21-16/h6-7,13H,1-5,8-12H2
InChIKeyAOQOGMLSCRCRQJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.79
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one

3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 141195466) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
PubChem CID141195466
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOc1ccc2c(c1)CCCO2)N1CCCCC1
InChIInChI=1S/C17H23NO3/c19-17(18-9-2-1-3-10-18)8-12-20-15-6-7-16-14(13-15)5-4-11-21-16/h6-7,13H,1-5,8-12H2
InChIKeyAOQOGMLSCRCRQJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
4-(3,4-dihydro-2H-chromen-6-yloxy)-1-pyrrol-1-ylbutan-1-one
CID 141195435
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole
CID 174585174
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880240
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
CID 141195387
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one (CID 141195466) is 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one is O=C(CCOc1ccc2c(c1)CCCO2)N1CCCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is AOQOGMLSCRCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(18-9-2-1-3-10-18)8-12-20-15-6-7-16-14(13-15)5-4-11-21-16/h6-7,13H,1-5,8-12H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one?
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 141195466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).