8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

C27H23FN2O3 — CID 2595362

IUPAC8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccccc4F)CC3)cccc2c1=O
InChIInChI=1S/C27H23FN2O3/c1-18-24(31)20-10-7-11-21(26(20)33-25(18)19-8-3-2-4-9-19)27(32)30-16-14-29(15-17-30)23-13-6-5-12-22(23)28/h2-13H,14-17H2,1H3
InChIKeyRLVNDLIXKDRYLA-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.87
Rot. Bonds3

About 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 2595362) has the molecular formula C27H23FN2O3 and a molecular weight of 442.49 g/mol. Its IUPAC name is 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
PubChem CID2595362
Molecular FormulaC27H23FN2O3
Molecular Weight442.49 g/mol
Exact Mass442.17
IUPAC Name8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccccc4F)CC3)cccc2c1=O
InChIInChI=1S/C27H23FN2O3/c1-18-24(31)20-10-7-11-21(26(20)33-25(18)19-8-3-2-4-9-19)27(32)30-16-14-29(15-17-30)23-13-6-5-12-22(23)28/h2-13H,14-17H2,1H3
InChIKeyRLVNDLIXKDRYLA-UHFFFAOYSA-N
XLogP4.87
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one 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 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 2595362) is 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccccc4F)CC3)cccc2c1=O.
What is the InChIKey of 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is RLVNDLIXKDRYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O3/c1-18-24(31)20-10-7-11-21(26(20)33-25(18)19-8-3-2-4-9-19)27(32)30-16-14-29(15-17-30)23-13-6-5-12-22(23)28/h2-13H,14-17H2,1H3.
What are the key properties of 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 442.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 2595362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).