1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C16H20N6O3S — CID 133277441

IUPAC1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESNc1nc(N2CCC(C(=O)NCCc3cccs3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O3S/c17-14-13(22(24)25)10-19-16(20-14)21-7-4-11(5-8-21)15(23)18-6-3-12-2-1-9-26-12/h1-2,9-11H,3-8H2,(H,18,23)(H2,17,19,20)
InChIKeyFSISVOLIMIGNAL-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.60
Rot. Bonds6

About 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 133277441) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID133277441
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESNc1nc(N2CCC(C(=O)NCCc3cccs3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O3S/c17-14-13(22(24)25)10-19-16(20-14)21-7-4-11(5-8-21)15(23)18-6-3-12-2-1-9-26-12/h1-2,9-11H,3-8H2,(H,18,23)(H2,17,19,20)
InChIKeyFSISVOLIMIGNAL-UHFFFAOYSA-N
XLogP1.60
TPSA127.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 26795651
[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
CID 47281088
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53202042
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277457
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 133277441) is 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is Nc1nc(N2CCC(C(=O)NCCc3cccs3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is FSISVOLIMIGNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c17-14-13(22(24)25)10-19-16(20-14)21-7-4-11(5-8-21)15(23)18-6-3-12-2-1-9-26-12/h1-2,9-11H,3-8H2,(H,18,23)(H2,17,19,20).
What are the key properties of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133277441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).