5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide

C14H21N3O3S — CID 106625686

IUPAC5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H21N3O3S/c1-2-9-16(10-11-5-3-4-8-15-11)14(18)12-6-7-13(21-12)17(19)20/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyBQGKUERGYRPLSB-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.65
Rot. Bonds6

About 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide

5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide (PubChem CID 106625686) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
PubChem CID106625686
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H21N3O3S/c1-2-9-16(10-11-5-3-4-8-15-11)14(18)12-6-7-13(21-12)17(19)20/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyBQGKUERGYRPLSB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106625827
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63637966
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide (CID 106625686) is 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide is CCCN(CC1CCCCN1)C(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The InChIKey is BQGKUERGYRPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-9-16(10-11-5-3-4-8-15-11)14(18)12-6-7-13(21-12)17(19)20/h6-7,11,15H,2-5,8-10H2,1H3.
What are the key properties of 5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 2.65, 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-2-ylmethyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 106625686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).