2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone

C16H21NO2 — CID 116548013

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
SMILESO=C(CC1CCOc2ccccc21)C1CCCNC1
InChIInChI=1S/C16H21NO2/c18-15(13-4-3-8-17-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyUWMAOWAHAATOQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone (PubChem CID 116548013) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
PubChem CID116548013
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
SMILESO=C(CC1CCOc2ccccc21)C1CCCNC1
InChIInChI=1S/C16H21NO2/c18-15(13-4-3-8-17-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyUWMAOWAHAATOQD-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
CID 113451289
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115798747
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
CID 114451510
(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 167180253
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762185
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
CID 113451283

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone (CID 116548013) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone is O=C(CC1CCOc2ccccc21)C1CCCNC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone?
The InChIKey is UWMAOWAHAATOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(13-4-3-8-17-11-13)10-12-7-9-19-16-6-2-1-5-14(12)16/h1-2,5-6,12-13,17H,3-4,7-11H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone has a molecular weight of 259.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).