N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H24FN3O5S — CID 56558633

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O5S/c20-15-2-4-16(5-3-15)29(27,28)22-12-8-14(9-13-22)19(26)21-10-1-11-23-17(24)6-7-18(23)25/h2-5,14H,1,6-13H2,(H,21,26)
InChIKeyLHQPVLSNJCRUGI-UHFFFAOYSA-N
MW425.48 g/mol
LogP0.88
Rot. Bonds7

About N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 56558633) has the molecular formula C19H24FN3O5S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID56558633
Molecular FormulaC19H24FN3O5S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O5S/c20-15-2-4-16(5-3-15)29(27,28)22-12-8-14(9-13-22)19(26)21-10-1-11-23-17(24)6-7-18(23)25/h2-5,14H,1,6-13H2,(H,21,26)
InChIKeyLHQPVLSNJCRUGI-UHFFFAOYSA-N
XLogP0.88
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 78781141
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55781972
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(4-fluorophenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262550
1-(3,4-difluorophenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide
CID 26635658
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 56558633) is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCCCN1C(=O)CCC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LHQPVLSNJCRUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5S/c20-15-2-4-16(5-3-15)29(27,28)22-12-8-14(9-13-22)19(26)21-10-1-11-23-17(24)6-7-18(23)25/h2-5,14H,1,6-13H2,(H,21,26).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56558633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).