5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide

C14H21N3O3S — CID 106626706

IUPAC5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)16(8-12-5-3-4-6-15-12)14(18)11-7-13(17(19)20)21-9-11/h7,9-10,12,15H,3-6,8H2,1-2H3
InChIKeyHQCXXBJTWQXLRZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.65
Rot. Bonds5

About 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide

5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 106626706) 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-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID106626706
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)16(8-12-5-3-4-6-15-12)14(18)11-7-13(17(19)20)21-9-11/h7,9-10,12,15H,3-6,8H2,1-2H3
InChIKeyHQCXXBJTWQXLRZ-UHFFFAOYSA-N
XLogP2.65
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
N-[(5-nitrothiophen-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622573
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626571
5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610095
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106626552
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide (CID 106626706) is 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide is CC(C)N(CC1CCCCN1)C(=O)c1csc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is HQCXXBJTWQXLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)16(8-12-5-3-4-6-15-12)14(18)11-7-13(17(19)20)21-9-11/h7,9-10,12,15H,3-6,8H2,1-2H3.
What are the key properties of 5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide?
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 2.65, 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-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 106626706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).