4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide

C17H19N5O3 — CID 121109069

IUPAC4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O3/c23-17(14-1-3-15(4-2-14)22(24)25)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,20,23)
InChIKeyOKTCJDUOXVGYTK-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.03
Rot. Bonds5

About 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide

4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 121109069) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID121109069
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O3/c23-17(14-1-3-15(4-2-14)22(24)25)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,20,23)
InChIKeyOKTCJDUOXVGYTK-UHFFFAOYSA-N
XLogP2.03
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.03
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

N-[(4-chlorocyclohexyl)methyl]-4-nitrobenzamide
CID 106133527
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108772
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide (CID 121109069) is 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide is O=C(NCC1CCN(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is OKTCJDUOXVGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-17(14-1-3-15(4-2-14)22(24)25)20-11-13-5-9-21(10-6-13)16-12-18-7-8-19-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,20,23).
What are the key properties of 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 121109069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).