1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid

C22H28N2O6 — CID 21460187

IUPAC1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid
SMILESCc1c(OCCN2CCCC(C(=O)O)C2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C22H28N2O6/c1-15-19(29-12-7-23-6-2-3-16(14-23)22(26)27)5-4-17-18(25)13-20(30-21(15)17)24-8-10-28-11-9-24/h4-5,13,16H,2-3,6-12,14H2,1H3,(H,26,27)
InChIKeyZCPHKAZZPDYYRG-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid

1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid (PubChem CID 21460187) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid
PubChem CID21460187
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid
SMILESCc1c(OCCN2CCCC(C(=O)O)C2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C22H28N2O6/c1-15-19(29-12-7-23-6-2-3-16(14-23)22(26)27)5-4-17-18(25)13-20(30-21(15)17)24-8-10-28-11-9-24/h4-5,13,16H,2-3,6-12,14H2,1H3,(H,26,27)
InChIKeyZCPHKAZZPDYYRG-UHFFFAOYSA-N
XLogP2.11
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid (CID 21460187) is 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid is Cc1c(OCCN2CCCC(C(=O)O)C2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid?
The InChIKey is ZCPHKAZZPDYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-15-19(29-12-7-23-6-2-3-16(14-23)22(26)27)5-4-17-18(25)13-20(30-21(15)17)24-8-10-28-11-9-24/h4-5,13,16H,2-3,6-12,14H2,1H3,(H,26,27).
What are the key properties of 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid?
1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid has a molecular weight of 416.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 21460187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).