5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide

C14H21N3O3S — CID 79701574

IUPAC5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3S/c1-2-7-16(9-11-3-5-15-6-4-11)14(18)12-8-13(17(19)20)21-10-12/h8,10-11,15H,2-7,9H2,1H3
InChIKeyRJTBFMUFIDDGGH-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.51
Rot. Bonds6

About 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide

5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide (PubChem CID 79701574) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
PubChem CID79701574
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3S/c1-2-7-16(9-11-3-5-15-6-4-11)14(18)12-8-13(17(19)20)21-10-12/h8,10-11,15H,2-7,9H2,1H3
InChIKeyRJTBFMUFIDDGGH-UHFFFAOYSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.51
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

4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79702373
N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119443414
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
5-methyl-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-carboxamide
CID 79720330
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
N-[(5-nitrothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715498
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
3-[4-[cyclopropylmethyl(propyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79689903

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide?
The IUPAC name of 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide (CID 79701574) is 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide?
The canonical SMILES for 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide is CCCN(CC1CCNCC1)C(=O)c1csc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide?
The InChIKey is RJTBFMUFIDDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-7-16(9-11-3-5-15-6-4-11)14(18)12-8-13(17(19)20)21-10-12/h8,10-11,15H,2-7,9H2,1H3.
What are the key properties of 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide?
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 79701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).