N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride

C11H16ClN3O3S — CID 119443414

IUPACN-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C11H15N3O3S.ClH/c1-13(9-2-4-12-5-3-9)11(15)8-6-10(14(16)17)18-7-8;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyKFHGDJKATYHHIH-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride

N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride (PubChem CID 119443414) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
PubChem CID119443414
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC NameN-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C11H15N3O3S.ClH/c1-13(9-2-4-12-5-3-9)11(15)8-6-10(14(16)17)18-7-8;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyKFHGDJKATYHHIH-UHFFFAOYSA-N
XLogP1.90
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119441879
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
CID 79701574
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrothiophene-3-carboxamide
CID 116651976
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-nitrothiophene-3-carboxamide
CID 61231125
N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
CID 43602153
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride (CID 119443414) is N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride is CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The InChIKey is KFHGDJKATYHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S.ClH/c1-13(9-2-4-12-5-3-9)11(15)8-6-10(14(16)17)18-7-8;/h6-7,9,12H,2-5H2,1H3;1H.
What are the key properties of N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride has a molecular weight of 305.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119443414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).