4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide

C25H22F2N2O6 — CID 44577620

IUPAC4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide
SMILESO=C(CC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)C(=O)CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22F2N2O6/c26-17-5-1-15(2-6-17)20(30)13-22(32)24(34)28-19-9-11-29(12-10-19)25(35)23(33)14-21(31)16-3-7-18(27)8-4-16/h1-8,19H,9-14H2,(H,28,34)
InChIKeyJHYVDTCOJVVGAT-UHFFFAOYSA-N
MW484.46 g/mol
LogP2.06
Rot. Bonds9

About 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide

4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide (PubChem CID 44577620) has the molecular formula C25H22F2N2O6 and a molecular weight of 484.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide
PubChem CID44577620
Molecular FormulaC25H22F2N2O6
Molecular Weight484.46 g/mol
Exact Mass484.14
IUPAC Name4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide
SMILESO=C(CC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)C(=O)CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22F2N2O6/c26-17-5-1-15(2-6-17)20(30)13-22(32)24(34)28-19-9-11-29(12-10-19)25(35)23(33)14-21(31)16-3-7-18(27)8-4-16/h1-8,19H,9-14H2,(H,28,34)
InChIKeyJHYVDTCOJVVGAT-UHFFFAOYSA-N
XLogP2.06
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-1-[4-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperazin-1-yl]butane-1,2,4-trione
CID 44577621
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 24520834
(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
CID 3033185
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide (CID 44577620) is 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide is O=C(CC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)C(=O)CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide?
The InChIKey is JHYVDTCOJVVGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O6/c26-17-5-1-15(2-6-17)20(30)13-22(32)24(34)28-19-9-11-29(12-10-19)25(35)23(33)14-21(31)16-3-7-18(27)8-4-16/h1-8,19H,9-14H2,(H,28,34).
What are the key properties of 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide?
4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide has a molecular weight of 484.46 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide is sourced from PubChem (CID 44577620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).