morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone

C16H21N3O6S — CID 3230698

IUPACmorpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-8-10-25-11-9-17)13-4-6-18(7-5-13)26(23,24)15-3-1-2-14(12-15)19(21)22/h1-3,12-13H,4-11H2
InChIKeyVZCVELKKTNVTID-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.85
Rot. Bonds4

About morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone

morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 3230698) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID3230698
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Namemorpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-8-10-25-11-9-17)13-4-6-18(7-5-13)26(23,24)15-3-1-2-14(12-15)19(21)22/h1-3,12-13H,4-11H2
InChIKeyVZCVELKKTNVTID-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'}

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Related Compounds

cyclobutyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924343
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 16828632
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
(4-methylpiperidin-1-yl)-[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-4-yl]methanone
CID 16960891
[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 40804779
[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 40822915
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
2-(3-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867940
[4-(4-nitrophenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602463
(3S)-1-(3-nitrophenyl)sulfonylpiperidine-3-carboxylate
CID 7058472

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone (CID 3230698) is morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is VZCVELKKTNVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c20-16(17-8-10-25-11-9-17)13-4-6-18(7-5-13)26(23,24)15-3-1-2-14(12-15)19(21)22/h1-3,12-13H,4-11H2.
What are the key properties of morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone?
morpholin-4-yl-[1-(3-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-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 3230698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).