1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide

C22H27N3O4S — CID 4020182

IUPAC1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H27N3O4S/c26-22(23-19-10-4-5-11-20(19)24-14-16-29-17-15-24)21-12-6-7-13-25(21)30(27,28)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,26)
InChIKeyYCCYILKGZCAPLZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.71
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide (PubChem CID 4020182) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide
PubChem CID4020182
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H27N3O4S/c26-22(23-19-10-4-5-11-20(19)24-14-16-29-17-15-24)21-12-6-7-13-25(21)30(27,28)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,26)
InChIKeyYCCYILKGZCAPLZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide (CID 4020182) is 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide?
The InChIKey is YCCYILKGZCAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-22(23-19-10-4-5-11-20(19)24-14-16-29-17-15-24)21-12-6-7-13-25(21)30(27,28)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,26).
What are the key properties of 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 4020182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).