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

C17H19NO4 — CID 3936970

IUPAC7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCC1CCCCN1C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H19NO4/c1-12-4-2-3-9-18(12)16(19)11-21-14-7-5-13-6-8-17(20)22-15(13)10-14/h5-8,10,12H,2-4,9,11H2,1H3
InChIKeyUYTIGOHEHUGOJG-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.57
Rot. Bonds3

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

7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 3936970) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID3936970
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCC1CCCCN1C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H19NO4/c1-12-4-2-3-9-18(12)16(19)11-21-14-7-5-13-6-8-17(20)22-15(13)10-14/h5-8,10,12H,2-4,9,11H2,1H3
InChIKeyUYTIGOHEHUGOJG-UHFFFAOYSA-N
XLogP2.57
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one (CID 3936970) is 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one is CC1CCCCN1C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is UYTIGOHEHUGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-4-2-3-9-18(12)16(19)11-21-14-7-5-13-6-8-17(20)22-15(13)10-14/h5-8,10,12H,2-4,9,11H2,1H3.
What are the key properties of 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 301.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 3936970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).