1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione

C24H27FN4O3 — CID 53135726

IUPAC1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
SMILESCCN1CCN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C(=O)C1=O
InChIInChI=1S/C24H27FN4O3/c1-2-26-11-16-29(24(32)23(26)31)17-18-3-5-19(6-4-18)22(30)28-14-12-27(13-15-28)21-9-7-20(25)8-10-21/h3-10H,2,11-17H2,1H3
InChIKeyGPNRDYKRJHVWOA-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.98
Rot. Bonds5

About 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione

1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione (PubChem CID 53135726) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
PubChem CID53135726
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
SMILESCCN1CCN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C(=O)C1=O
InChIInChI=1S/C24H27FN4O3/c1-2-26-11-16-29(24(32)23(26)31)17-18-3-5-19(6-4-18)22(30)28-14-12-27(13-15-28)21-9-7-20(25)8-10-21/h3-10H,2,11-17H2,1H3
InChIKeyGPNRDYKRJHVWOA-UHFFFAOYSA-N
XLogP1.98
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperazine-2,3-dione
CID 3277198
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53135695
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
methyl 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoate
CID 28942654
4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione (CID 53135726) is 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione is CCN1CCN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The InChIKey is GPNRDYKRJHVWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-2-26-11-16-29(24(32)23(26)31)17-18-3-5-19(6-4-18)22(30)28-14-12-27(13-15-28)21-9-7-20(25)8-10-21/h3-10H,2,11-17H2,1H3.
What are the key properties of 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione has a molecular weight of 438.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 53135726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).