N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide

C24H26FN3O3 — CID 17251258

IUPACN-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc2c(CN3CCN(CC(=O)N(C)c4ccc(F)cc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H26FN3O3/c1-17-3-8-21-18(14-24(30)31-22(21)13-17)15-27-9-11-28(12-10-27)16-23(29)26(2)20-6-4-19(25)5-7-20/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeySCQMLOZXNZBORO-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.02
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 17251258) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID17251258
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc2c(CN3CCN(CC(=O)N(C)c4ccc(F)cc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H26FN3O3/c1-17-3-8-21-18(14-24(30)31-22(21)13-17)15-27-9-11-28(12-10-27)16-23(29)26(2)20-6-4-19(25)5-7-20/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeySCQMLOZXNZBORO-UHFFFAOYSA-N
XLogP3.02
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide (CID 17251258) is N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc2c(CN3CCN(CC(=O)N(C)c4ccc(F)cc4)CC3)cc(=O)oc2c1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is SCQMLOZXNZBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-17-3-8-21-18(14-24(30)31-22(21)13-17)15-27-9-11-28(12-10-27)16-23(29)26(2)20-6-4-19(25)5-7-20/h3-8,13-14H,9-12,15-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17251258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).