2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide

C28H25ClN2O4 — CID 2185652

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H25ClN2O4/c29-24-15-23-22(19-7-3-1-4-8-19)16-28(33)35-25(23)17-26(24)34-18-27(32)30-20-9-11-21(12-10-20)31-13-5-2-6-14-31/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,30,32)
InChIKeyAHVBXWZXVMATRE-UHFFFAOYSA-N
MW488.97 g/mol
LogP6.12
Rot. Bonds6

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

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 2185652) has the molecular formula C28H25ClN2O4 and a molecular weight of 488.97 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID2185652
Molecular FormulaC28H25ClN2O4
Molecular Weight488.97 g/mol
Exact Mass488.15
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H25ClN2O4/c29-24-15-23-22(19-7-3-1-4-8-19)16-28(33)35-25(23)17-26(24)34-18-27(32)30-20-9-11-21(12-10-20)31-13-5-2-6-14-31/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,30,32)
InChIKeyAHVBXWZXVMATRE-UHFFFAOYSA-N
XLogP6.12
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 56.12
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-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 4823857
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
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-2-oxo-4-phenylchromen-7-yl)oxy-N-(2-chloro-3-pyridinyl)acetamide
CID 24520428
2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide
CID 24523373
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide
CID 24523378
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
6-chloro-7-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]-4-phenylchromen-2-one
CID 43034128
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
CID 2207766
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (CID 2185652) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is AHVBXWZXVMATRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O4/c29-24-15-23-22(19-7-3-1-4-8-19)16-28(33)35-25(23)17-26(24)34-18-27(32)30-20-9-11-21(12-10-20)31-13-5-2-6-14-31/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,30,32).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 488.97 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2185652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).