5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

C13H19N3O3S — CID 119557591

IUPAC5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC2CCCNC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3S/c1-9-11(16(18)19)7-12(20-9)13(17)15-6-4-10-3-2-5-14-8-10/h7,10,14H,2-6,8H2,1H3,(H,15,17)
InChIKeyAJUSPVYJCOAUCJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.08
Rot. Bonds5

About 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 119557591) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
PubChem CID119557591
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC2CCCNC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3S/c1-9-11(16(18)19)7-12(20-9)13(17)15-6-4-10-3-2-5-14-8-10/h7,10,14H,2-6,8H2,1H3,(H,15,17)
InChIKeyAJUSPVYJCOAUCJ-UHFFFAOYSA-N
XLogP2.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
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-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
4-(4-fluorophenyl)-5-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119559585
5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452265
5-methylsulfanyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557437
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759
1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119558950
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119537746
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111425705
2-amino-5-methyl-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536275

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (CID 119557591) is 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCCC2CCCNC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is AJUSPVYJCOAUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-11(16(18)19)7-12(20-9)13(17)15-6-4-10-3-2-5-14-8-10/h7,10,14H,2-6,8H2,1H3,(H,15,17).
What are the key properties of 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119557591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).