(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide

C12H15N3O3S — CID 127217570

IUPAC(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])s1)NC1CCNCC1
InChIInChI=1S/C12H15N3O3S/c16-11(14-9-5-7-13-8-6-9)3-1-10-2-4-12(19-10)15(17)18/h1-4,9,13H,5-8H2,(H,14,16)/b3-1+
InChIKeyNSLSNRWFYQPTRK-HNQUOIGGSA-N
MW281.34 g/mol
LogP1.54
Rot. Bonds4

About (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide

(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide (PubChem CID 127217570) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
PubChem CID127217570
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])s1)NC1CCNCC1
InChIInChI=1S/C12H15N3O3S/c16-11(14-9-5-7-13-8-6-9)3-1-10-2-4-12(19-10)15(17)18/h1-4,9,13H,5-8H2,(H,14,16)/b3-1+
InChIKeyNSLSNRWFYQPTRK-HNQUOIGGSA-N
XLogP1.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide 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

methyl 3-(5-nitrothiophen-2-yl)prop-2-enoate
CID 85167112
5-(5-nitrothiophen-2-yl)-3-oxopent-4-enoic acid
CID 70084637
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78909471
(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427568
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-(2-hydroxy-4-nitrophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 127028695
(E)-N-(3-bromophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6018482
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 4134984
1-(2,6-dimethylmorpholin-4-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
CID 4109762
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 4071853
3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide (CID 127217570) is (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])s1)NC1CCNCC1.
What is the InChIKey of (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide?
The InChIKey is NSLSNRWFYQPTRK-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-11(14-9-5-7-13-8-6-9)3-1-10-2-4-12(19-10)15(17)18/h1-4,9,13H,5-8H2,(H,14,16)/b3-1+.
What are the key properties of (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide?
(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide has a molecular weight of 281.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide is sourced from PubChem (CID 127217570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).