5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide

C19H22N4O3 — CID 78775617

IUPAC5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C19H22N4O3/c1-14(15-7-9-20-10-8-15)21-19(24)17-13-16(23(25)26)5-6-18(17)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyOUFYUFBEKWXZCD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.47
Rot. Bonds5

About 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide

5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 78775617) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID78775617
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C19H22N4O3/c1-14(15-7-9-20-10-8-15)21-19(24)17-13-16(23(25)26)5-6-18(17)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyOUFYUFBEKWXZCD-UHFFFAOYSA-N
XLogP3.47
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.47
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

5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperidin-1-ylbenzamide
CID 26378988
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7405666
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55893503
5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55948412
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-(4-methyl-3-nitrophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39753269
5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 1063217

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide (CID 78775617) is 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccncc1.
What is the InChIKey of 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is OUFYUFBEKWXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(15-7-9-20-10-8-15)21-19(24)17-13-16(23(25)26)5-6-18(17)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,24).
What are the key properties of 5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide?
5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.47, 5 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-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 78775617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).