4-nitro-N-(6-oxopiperidin-3-yl)benzamide

C12H13N3O4 — CID 60617057

IUPAC4-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H13N3O4/c16-11-6-3-9(7-13-11)14-12(17)8-1-4-10(5-2-8)15(18)19/h1-2,4-5,9H,3,6-7H2,(H,13,16)(H,14,17)
InChIKeyGNIUBEJDDBYHMU-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.60
Rot. Bonds3

About 4-nitro-N-(6-oxopiperidin-3-yl)benzamide

4-nitro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 60617057) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-nitro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID60617057
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H13N3O4/c16-11-6-3-9(7-13-11)14-12(17)8-1-4-10(5-2-8)15(18)19/h1-2,4-5,9H,3,6-7H2,(H,13,16)(H,14,17)
InChIKeyGNIUBEJDDBYHMU-UHFFFAOYSA-N
XLogP0.60
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
CID 10378768
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616996
1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62896423
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 79832497
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-nitro-N-(6-oxopiperidin-3-yl)benzamide (CID 60617057) is 4-nitro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-nitro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CN1.
What is the InChIKey of 4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is GNIUBEJDDBYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11-6-3-9(7-13-11)14-12(17)8-1-4-10(5-2-8)15(18)19/h1-2,4-5,9H,3,6-7H2,(H,13,16)(H,14,17).
What are the key properties of 4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
4-nitro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 263.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 60617057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).