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

C30H28N2O4 — CID 32769378

IUPAC8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)cc1
InChIInChI=1S/C30H28N2O4/c1-3-21-12-14-23(15-13-21)29(34)31-16-18-32(19-17-31)30(35)25-11-7-10-24-26(33)20(2)27(36-28(24)25)22-8-5-4-6-9-22/h4-15H,3,16-19H2,1-2H3
InChIKeySULNAILFJZWNQA-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.93
Rot. Bonds4

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

8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 32769378) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
PubChem CID32769378
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)cc1
InChIInChI=1S/C30H28N2O4/c1-3-21-12-14-23(15-13-21)29(34)31-16-18-32(19-17-31)30(35)25-11-7-10-24-26(33)20(2)27(36-28(24)25)22-8-5-4-6-9-22/h4-15H,3,16-19H2,1-2H3
InChIKeySULNAILFJZWNQA-UHFFFAOYSA-N
XLogP4.93
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 36505981
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
8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
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
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 29479515
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
8-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166195760
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 32769378) is 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is CCc1ccc(C(=O)N2CCN(C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)cc1.
What is the InChIKey of 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is SULNAILFJZWNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-3-21-12-14-23(15-13-21)29(34)31-16-18-32(19-17-31)30(35)25-11-7-10-24-26(33)20(2)27(36-28(24)25)22-8-5-4-6-9-22/h4-15H,3,16-19H2,1-2H3.
What are the key properties of 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 480.56 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 32769378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).