1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide

C16H23FN2O4S — CID 3240828

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-23-12-4-10-18-16(20)15-5-2-3-11-19(15)24(21,22)14-8-6-13(17)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyISKGQOMRPGQJPR-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.52
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide (PubChem CID 3240828) 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-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide
PubChem CID3240828
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4S/c1-23-12-4-10-18-16(20)15-5-2-3-11-19(15)24(21,22)14-8-6-13(17)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyISKGQOMRPGQJPR-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide (CID 3240828) is 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide is COCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide?
The InChIKey is ISKGQOMRPGQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-23-12-4-10-18-16(20)15-5-2-3-11-19(15)24(21,22)14-8-6-13(17)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.52, 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-2-carboxamide is sourced from PubChem (CID 3240828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).