2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide

C19H26FN3O4 — CID 53005720

IUPAC2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide
SMILESCCC(C(=O)NCCCOC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C19H26FN3O4/c1-3-16(17(24)21-9-4-12-27-2)23-11-10-22(18(25)19(23)26)13-14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyIKBKDIILTDTCEM-UHFFFAOYSA-N
MW379.43 g/mol
LogP0.93
Rot. Bonds9

About 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide

2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide (PubChem CID 53005720) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide
PubChem CID53005720
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide
SMILESCCC(C(=O)NCCCOC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C19H26FN3O4/c1-3-16(17(24)21-9-4-12-27-2)23-11-10-22(18(25)19(23)26)13-14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyIKBKDIILTDTCEM-UHFFFAOYSA-N
XLogP0.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056451
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-piperidin-1-ylpropyl)butanamide
CID 53005723
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 95067133
(2S)-N-cyclooctyl-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 95067134
(2R)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(4-methoxyphenyl)butanamide
CID 93056364
(2S)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 93056358
(2R)-N-(3,5-dimethylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056448
(2R)-N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056412
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056474
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylbutanamide
CID 53005706
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056425
(2R)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 95067131

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide (CID 53005720) is 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide is CCC(C(=O)NCCCOC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide?
The InChIKey is IKBKDIILTDTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-3-16(17(24)21-9-4-12-27-2)23-11-10-22(18(25)19(23)26)13-14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide?
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide has a molecular weight of 379.43 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 53005720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).