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

C28H23FN2O4 — CID 36505981

IUPAC8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cccc2c1=O
InChIInChI=1S/C28H23FN2O4/c1-18-24(32)22-8-5-9-23(26(22)35-25(18)19-6-3-2-4-7-19)28(34)31-16-14-30(15-17-31)27(33)20-10-12-21(29)13-11-20/h2-13H,14-17H2,1H3
InChIKeyFOLQLALOVQTNJI-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.51
Rot. Bonds3

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

8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 36505981) has the molecular formula C28H23FN2O4 and a molecular weight of 470.50 g/mol. Its IUPAC name is 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
PubChem CID36505981
Molecular FormulaC28H23FN2O4
Molecular Weight470.50 g/mol
Exact Mass470.16
IUPAC Name8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cccc2c1=O
InChIInChI=1S/C28H23FN2O4/c1-18-24(32)22-8-5-9-23(26(22)35-25(18)19-6-3-2-4-7-19)28(34)31-16-14-30(15-17-31)27(33)20-10-12-21(29)13-11-20/h2-13H,14-17H2,1H3
InChIKeyFOLQLALOVQTNJI-UHFFFAOYSA-N
XLogP4.51
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 32769378
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166196840
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 26696208
8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
8-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166195760
7-amino-2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242478
N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 29479515
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 36505981) is 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cccc2c1=O.
What is the InChIKey of 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is FOLQLALOVQTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O4/c1-18-24(32)22-8-5-9-23(26(22)35-25(18)19-6-3-2-4-7-19)28(34)31-16-14-30(15-17-31)27(33)20-10-12-21(29)13-11-20/h2-13H,14-17H2,1H3.
What are the key properties of 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 470.50 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 36505981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).