7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one

C24H25NO4 — CID 7641848

IUPAC7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C24H25NO4/c1-16-7-6-8-17(2)25(16)23(26)15-28-19-11-12-20-22(13-19)29-14-21(24(20)27)18-9-4-3-5-10-18/h3-5,9-14,16-17H,6-8,15H2,1-2H3/t16-,17-/m1/s1
InChIKeySEUNMLVIVPRMOM-IAGOWNOFSA-N
MW391.47 g/mol
LogP4.63
Rot. Bonds4

About 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one

7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (PubChem CID 7641848) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
PubChem CID7641848
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C24H25NO4/c1-16-7-6-8-17(2)25(16)23(26)15-28-19-11-12-20-22(13-19)29-14-21(24(20)27)18-9-4-3-5-10-18/h3-5,9-14,16-17H,6-8,15H2,1-2H3/t16-,17-/m1/s1
InChIKeySEUNMLVIVPRMOM-IAGOWNOFSA-N
XLogP4.63
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162915727
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
3-(3,4-dimethoxyphenyl)-7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]chromen-4-one
CID 41130247
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
7-cyclohexyloxy-3-phenylchromen-4-one
CID 174329821

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (CID 7641848) is 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The InChIKey is SEUNMLVIVPRMOM-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-7-6-8-17(2)25(16)23(26)15-28-19-11-12-20-22(13-19)29-14-21(24(20)27)18-9-4-3-5-10-18/h3-5,9-14,16-17H,6-8,15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one has a molecular weight of 391.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 7641848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).