5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide

C13H19N3O3S — CID 63637966

IUPAC5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCNC1
InChIInChI=1S/C13H19N3O3S/c1-2-8-15(10-4-3-7-14-9-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyJTKABKHVRXKKLQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.26
Rot. Bonds5

About 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide

5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide (PubChem CID 63637966) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
PubChem CID63637966
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCNC1
InChIInChI=1S/C13H19N3O3S/c1-2-8-15(10-4-3-7-14-9-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,10,14H,2-4,7-9H2,1H3
InChIKeyJTKABKHVRXKKLQ-UHFFFAOYSA-N
XLogP2.26
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.26
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

N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-piperidin-3-yl-N-propylthiadiazole-5-carboxamide
CID 63638833
2-[cyclopentyl-(5-nitrothiophene-2-carbonyl)amino]acetic acid
CID 60826019
3-[cyclopropyl-(5-nitrothiophene-2-carbonyl)amino]propanoic acid
CID 60844872
N-(azetidin-3-yl)-5-bromo-N-propylthiophene-2-carboxamide
CID 66182885
N-piperidin-3-yl-N-propylthiophene-3-carboxamide
CID 55246454
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625686
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
6-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 55246260
6-oxo-N-piperidin-3-yl-N-propylpyran-3-carboxamide
CID 63637793

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide (CID 63637966) is 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCNC1.
What is the InChIKey of 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide?
The InChIKey is JTKABKHVRXKKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-8-15(10-4-3-7-14-9-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,10,14H,2-4,7-9H2,1H3.
What are the key properties of 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide?
5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 63637966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).