2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide

C23H23ClN2O4 — CID 4823857

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)c(Cl)cc12
InChIInChI=1S/C23H23ClN2O4/c1-15-11-23(28)30-20-13-21(19(24)12-18(15)20)29-14-22(27)25-16-5-7-17(8-6-16)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,27)
InChIKeyMODNHLIUMCWYOQ-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.76
Rot. Bonds5

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 4823857) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID4823857
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)c(Cl)cc12
InChIInChI=1S/C23H23ClN2O4/c1-15-11-23(28)30-20-13-21(19(24)12-18(15)20)29-14-22(27)25-16-5-7-17(8-6-16)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,27)
InChIKeyMODNHLIUMCWYOQ-UHFFFAOYSA-N
XLogP4.76
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 2185652
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
6-chloro-4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-2-one
CID 7468971
6-chloro-7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 4892556
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
CID 2207766
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 41350251
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (CID 4823857) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is MODNHLIUMCWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-15-11-23(28)30-20-13-21(19(24)12-18(15)20)29-14-22(27)25-16-5-7-17(8-6-16)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,27).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4823857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).