1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide

C16H24N4O5S — CID 2920890

IUPAC1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N4O5S/c1-3-19(4-2)26(24,25)15-11-13(20(22)23)5-6-14(15)18-9-7-12(8-10-18)16(17)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,21)
InChIKeyNQEGFXKKHLQBFB-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide

1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide (PubChem CID 2920890) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide
PubChem CID2920890
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N4O5S/c1-3-19(4-2)26(24,25)15-11-13(20(22)23)5-6-14(15)18-9-7-12(8-10-18)16(17)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,21)
InChIKeyNQEGFXKKHLQBFB-UHFFFAOYSA-N
XLogP1.33
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Methyl-3-nitrophenyl)sulfonyl]piperidine-4-carboxamide
CID 2836756
Ethyl 1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-4-carboxylate
CID 2883296
5-Nitro-2-piperidin-1-ylbenzenesulfonamide
CID 14910325
N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57393387
N-cycloheptyl-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57400244
1-(2-Nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 818663
N-cyclohexyl-N-methyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 1535360
1-(2-Nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 5014725
(4-Methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 2322325
BM-531
CID 3247761
N,N-diethyl-1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-3-piperidinecarboxamide
CID 2921652
1-[(4-Nitrophenyl)sulfonyl]piperidine-4-carboxamide
CID 750086

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide (CID 2920890) is 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide?
The InChIKey is NQEGFXKKHLQBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-3-19(4-2)26(24,25)15-11-13(20(22)23)5-6-14(15)18-9-7-12(8-10-18)16(17)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,17,21).
What are the key properties of 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide?
1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)-4-nitrophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 2920890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).