1-(5-nitrothiophene-2-carbonyl)piperidin-4-one

C10H10N2O4S — CID 103600797

IUPAC1-(5-nitrothiophene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H10N2O4S/c13-7-3-5-11(6-4-7)10(14)8-1-2-9(17-8)12(15)16/h1-2H,3-6H2
InChIKeyQNQNTBLRJJSSNL-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.46
Rot. Bonds2

About 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one

1-(5-nitrothiophene-2-carbonyl)piperidin-4-one (PubChem CID 103600797) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-nitrothiophene-2-carbonyl)piperidin-4-one
PubChem CID103600797
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name1-(5-nitrothiophene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H10N2O4S/c13-7-3-5-11(6-4-7)10(14)8-1-2-9(17-8)12(15)16/h1-2H,3-6H2
InChIKeyQNQNTBLRJJSSNL-UHFFFAOYSA-N
XLogP1.46
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5-nitrothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 17393436
(2-chlorophenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 46456186
[(3R)-3-aminopyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 81468887
(4-tert-butylphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 46464889
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648
N-ethyl-4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbothioamide
CID 43077005
[3-(hydroxymethyl)pyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 62370606
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582
[4-(benzenesulfonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 7535276
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(5-nitrothiophen-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26554394
(5-nitrothiophen-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202829

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one (CID 103600797) is 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1.
What is the InChIKey of 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one?
The InChIKey is QNQNTBLRJJSSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-7-3-5-11(6-4-7)10(14)8-1-2-9(17-8)12(15)16/h1-2H,3-6H2.
What are the key properties of 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one?
1-(5-nitrothiophene-2-carbonyl)piperidin-4-one has a molecular weight of 254.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrothiophene-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 103600797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).