morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone

C16H21N3O6S — CID 1190339

IUPACmorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)13-5-7-18(8-6-13)26(23,24)15-4-2-1-3-14(15)19(21)22/h1-4,13H,5-12H2
InChIKeyVDZQFGMREGOCOX-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.85
Rot. Bonds4

About morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone

morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1190339) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1190339
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Namemorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)13-5-7-18(8-6-13)26(23,24)15-4-2-1-3-14(15)19(21)22/h1-4,13H,5-12H2
InChIKeyVDZQFGMREGOCOX-UHFFFAOYSA-N
XLogP0.85
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-[(2-nitrophenyl)sulfonyl]-4-piperidinecarboxylate
CID 818667
Ethyl 1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-4-carboxylate
CID 2883296
1-[(2-Nitrophenyl)sulfonyl]-2-(1-piperidinylcarbonyl)piperidine
CID 2929456
[1-(4-Nitrophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2933876
Morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 3230698
4-[1-(2-Nitrobenzenesulfonyl)piperidine-2-carbonyl]morpholine
CID 5211583
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide
CID 24685916
N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57393387
1-(2-Nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 818663
N-cyclohexyl-N-methyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 1535360
1-Morpholin-4-yl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 2482108
[1-(2-Nitrophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 2931141

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone (CID 1190339) is morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is VDZQFGMREGOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)13-5-7-18(8-6-13)26(23,24)15-4-2-1-3-14(15)19(21)22/h1-4,13H,5-12H2.
What are the key properties of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1190339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).