5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide

C18H21N3O3S — CID 26313236

IUPAC5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-18(19-9-8-15-5-4-12-25-15)16-13-14(21(23)24)6-7-17(16)20-10-2-1-3-11-20/h4-7,12-13H,1-3,8-11H2,(H,19,22)
InChIKeyAIQHQRCFCRNWCX-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.62
Rot. Bonds6

About 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide

5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 26313236) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID26313236
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-18(19-9-8-15-5-4-12-25-15)16-13-14(21(23)24)6-7-17(16)20-10-2-1-3-11-20/h4-7,12-13H,1-3,8-11H2,(H,19,22)
InChIKeyAIQHQRCFCRNWCX-UHFFFAOYSA-N
XLogP3.62
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 55574744
(4aR,5R)-8-nitro-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
CID 93123138
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperidin-1-ylbenzamide
CID 26378988
5-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 55517730
5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-1-ylbenzamide
CID 29203003
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55948412
N-[2-(3-fluorophenoxy)ethyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 35096217
2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 103803074
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55595706

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide (CID 26313236) is 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AIQHQRCFCRNWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(19-9-8-15-5-4-12-25-15)16-13-14(21(23)24)6-7-17(16)20-10-2-1-3-11-20/h4-7,12-13H,1-3,8-11H2,(H,19,22).
What are the key properties of 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 26313236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).