N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide

C24H35FN4O4S — CID 16766499

IUPACN,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1
InChIInChI=1S/C24H35FN4O4S/c1-3-27(4-2)34(32,33)28-15-11-19(12-16-28)18-9-13-26(14-10-18)22-17-23(30)29(24(22)31)21-7-5-20(25)6-8-21/h5-8,18-19,22H,3-4,9-17H2,1-2H3
InChIKeyIGIIMNPTSXFCGG-UHFFFAOYSA-N
MW494.63 g/mol
LogP2.47
Rot. Bonds7

About N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide

N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide (PubChem CID 16766499) has the molecular formula C24H35FN4O4S and a molecular weight of 494.63 g/mol. Its IUPAC name is N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide
PubChem CID16766499
Molecular FormulaC24H35FN4O4S
Molecular Weight494.63 g/mol
Exact Mass494.24
IUPAC NameN,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1
InChIInChI=1S/C24H35FN4O4S/c1-3-27(4-2)34(32,33)28-15-11-19(12-16-28)18-9-13-26(14-10-18)22-17-23(30)29(24(22)31)21-7-5-20(25)6-8-21/h5-8,18-19,22H,3-4,9-17H2,1-2H3
InChIKeyIGIIMNPTSXFCGG-UHFFFAOYSA-N
XLogP2.47
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide 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

(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide
CID 26370534
4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide
CID 26415603
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1258456
ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide (CID 16766499) is N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is IGIIMNPTSXFCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O4S/c1-3-27(4-2)34(32,33)28-15-11-19(12-16-28)18-9-13-26(14-10-18)22-17-23(30)29(24(22)31)21-7-5-20(25)6-8-21/h5-8,18-19,22H,3-4,9-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide?
N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 494.63 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 16766499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).