2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide

C24H26N2O4 — CID 2966609

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc12
InChIInChI=1S/C24H26N2O4/c1-16-14-23(27)30-22-15-20(10-11-21(16)22)29-17(2)24(28)25-18-6-8-19(9-7-18)26-12-4-3-5-13-26/h6-11,14-15,17H,3-5,12-13H2,1-2H3,(H,25,28)
InChIKeyCCEFTCMNTFZCHW-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.50
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 2966609) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID2966609
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc12
InChIInChI=1S/C24H26N2O4/c1-16-14-23(27)30-22-15-20(10-11-21(16)22)29-17(2)24(28)25-18-6-8-19(9-7-18)26-12-4-3-5-13-26/h6-11,14-15,17H,3-5,12-13H2,1-2H3,(H,25,28)
InChIKeyCCEFTCMNTFZCHW-UHFFFAOYSA-N
XLogP4.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide (CID 2966609) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is CCEFTCMNTFZCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-14-23(27)30-22-15-20(10-11-21(16)22)29-17(2)24(28)25-18-6-8-19(9-7-18)26-12-4-3-5-13-26/h6-11,14-15,17H,3-5,12-13H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 406.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 2966609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).