1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide

C22H33F2N3O4S — CID 24666838

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCOCC1
InChIInChI=1S/C22H33F2N3O4S/c1-16(2)13-19(26-9-11-31-12-10-26)15-25-22(28)17-5-7-27(8-6-17)32(29,30)21-14-18(23)3-4-20(21)24/h3-4,14,16-17,19H,5-13,15H2,1-2H3,(H,25,28)
InChIKeyALIOKTWAYCEMQS-UHFFFAOYSA-N
MW473.59 g/mol
LogP2.23
Rot. Bonds8

About 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide (PubChem CID 24666838) has the molecular formula C22H33F2N3O4S and a molecular weight of 473.59 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
PubChem CID24666838
Molecular FormulaC22H33F2N3O4S
Molecular Weight473.59 g/mol
Exact Mass473.22
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCOCC1
InChIInChI=1S/C22H33F2N3O4S/c1-16(2)13-19(26-9-11-31-12-10-26)15-25-22(28)17-5-7-27(8-6-17)32(29,30)21-14-18(23)3-4-20(21)24/h3-4,14,16-17,19H,5-13,15H2,1-2H3,(H,25,28)
InChIKeyALIOKTWAYCEMQS-UHFFFAOYSA-N
XLogP2.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide (CID 24666838) is 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide is CC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCOCC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The InChIKey is ALIOKTWAYCEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N3O4S/c1-16(2)13-19(26-9-11-31-12-10-26)15-25-22(28)17-5-7-27(8-6-17)32(29,30)21-14-18(23)3-4-20(21)24/h3-4,14,16-17,19H,5-13,15H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide is sourced from PubChem (CID 24666838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).