7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one

C22H21NO4 — CID 7715462

IUPAC7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
SMILESO=C([C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H21NO4/c24-20-12-10-16-9-11-18(15-19(16)27-20)26-21(17-7-3-1-4-8-17)22(25)23-13-5-2-6-14-23/h1,3-4,7-12,15,21H,2,5-6,13-14H2/t21-/m0/s1
InChIKeyIIMQAHQNDJXVAQ-NRFANRHFSA-N
MW363.41 g/mol
LogP3.93
Rot. Bonds4

About 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one

7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one (PubChem CID 7715462) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
PubChem CID7715462
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
SMILESO=C([C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H21NO4/c24-20-12-10-16-9-11-18(15-19(16)27-20)26-21(17-7-3-1-4-8-17)22(25)23-13-5-2-6-14-23/h1,3-4,7-12,15,21H,2,5-6,13-14H2/t21-/m0/s1
InChIKeyIIMQAHQNDJXVAQ-NRFANRHFSA-N
XLogP3.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 7233639
7-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 88650092
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 18269190
N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 16504572
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one?
The IUPAC name of 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one (CID 7715462) is 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one.
What is the SMILES notation for 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one?
The canonical SMILES for 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one is O=C([C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one?
The InChIKey is IIMQAHQNDJXVAQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO4/c24-20-12-10-16-9-11-18(15-19(16)27-20)26-21(17-7-3-1-4-8-17)22(25)23-13-5-2-6-14-23/h1,3-4,7-12,15,21H,2,5-6,13-14H2/t21-/m0/s1.
What are the key properties of 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one?
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one is sourced from PubChem (CID 7715462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).