N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C22H26N4O6S — CID 26249655

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H26N4O6S/c27-22(17-8-10-24(11-9-17)20-6-1-2-7-21(20)26(28)29)23-18-4-3-5-19(16-18)33(30,31)25-12-14-32-15-13-25/h1-7,16-17H,8-15H2,(H,23,27)
InChIKeyAJTZRBMDNCFPFX-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.47
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 26249655) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID26249655
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H26N4O6S/c27-22(17-8-10-24(11-9-17)20-6-1-2-7-21(20)26(28)29)23-18-4-3-5-19(16-18)33(30,31)25-12-14-32-15-13-25/h1-7,16-17H,8-15H2,(H,23,27)
InChIKeyAJTZRBMDNCFPFX-UHFFFAOYSA-N
XLogP2.47
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 4242664
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 5221725
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentan-2-ylpiperidine-4-carboxamide
CID 24639365
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010
[(1S)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 98386271
N-hexyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 26264672
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 3628990
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
CID 4811270
(4-methylpiperidin-1-yl)-[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-4-yl]methanone
CID 16960891

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 26249655) is N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is AJTZRBMDNCFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c27-22(17-8-10-24(11-9-17)20-6-1-2-7-21(20)26(28)29)23-18-4-3-5-19(16-18)33(30,31)25-12-14-32-15-13-25/h1-7,16-17H,8-15H2,(H,23,27).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26249655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).