3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide

C15H16N4O3S — CID 4572034

IUPAC3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3S/c20-14(17-15-16-6-9-23-15)11-4-5-12(13(10-11)19(21)22)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,20)
InChIKeyQVKUWXJLILYOHD-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.29
Rot. Bonds4

About 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide

3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4572034) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4572034
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3S/c20-14(17-15-16-6-9-23-15)11-4-5-12(13(10-11)19(21)22)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,20)
InChIKeyQVKUWXJLILYOHD-UHFFFAOYSA-N
XLogP3.29
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-nitro-4-piperidin-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795452
3-nitro-4-piperidin-1-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
CID 3388977
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108744019
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
CID 7551438
4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-nitrobenzamide
CID 26723056
N-(4-acetyl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55435383
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719477
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
CID 43988747
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
CID 16572014
3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylbenzamide
CID 26209848
3-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylbenzamide
CID 40676286
1-[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670396

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide (CID 4572034) is 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QVKUWXJLILYOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14(17-15-16-6-9-23-15)11-4-5-12(13(10-11)19(21)22)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,20).
What are the key properties of 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 332.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4572034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).