7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one

C23H23NO4 — CID 7420701

IUPAC7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
SMILESCC1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1
InChIInChI=1S/C23H23NO4/c1-16-9-11-24(12-10-16)22(25)15-27-18-7-8-19-20(17-5-3-2-4-6-17)14-23(26)28-21(19)13-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyDEVGKDAHIWQODM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.10
Rot. Bonds4

About 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one

7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one (PubChem CID 7420701) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
PubChem CID7420701
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
SMILESCC1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1
InChIInChI=1S/C23H23NO4/c1-16-9-11-24(12-10-16)22(25)15-27-18-7-8-19-20(17-5-3-2-4-6-17)14-23(26)28-21(19)13-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyDEVGKDAHIWQODM-UHFFFAOYSA-N
XLogP4.10
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.10
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

7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide
CID 39377528
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 2938022
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
7-ethoxy-4-phenylchromen-2-one
CID 678937
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 41069073
1-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]piperidine-4-carboxylic acid
CID 146306482
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one (CID 7420701) is 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one is CC1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1.
What is the InChIKey of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one?
The InChIKey is DEVGKDAHIWQODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-9-11-24(12-10-16)22(25)15-27-18-7-8-19-20(17-5-3-2-4-6-17)14-23(26)28-21(19)13-18/h2-8,13-14,16H,9-12,15H2,1H3.
What are the key properties of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one?
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 7420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).