1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

C16H23FN2O4S — CID 2295347

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyZHJSPOYEQCAGRW-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.38
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 2295347) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID2295347
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyZHJSPOYEQCAGRW-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 2295347) is 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is ZHJSPOYEQCAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 2295347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).