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

C18H18N4O4 — CID 60616996

IUPAC4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1
InChIInChI=1S/C18H18N4O4/c23-17-9-7-14(11-19-17)21-18(24)12-6-8-15(16(10-12)22(25)26)20-13-4-2-1-3-5-13/h1-6,8,10,14,20H,7,9,11H2,(H,19,23)(H,21,24)
InChIKeyHAYMZNLGMWQCQB-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.35
Rot. Bonds5

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

4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 60616996) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID60616996
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1
InChIInChI=1S/C18H18N4O4/c23-17-9-7-14(11-19-17)21-18(24)12-6-8-15(16(10-12)22(25)26)20-13-4-2-1-3-5-13/h1-6,8,10,14,20H,7,9,11H2,(H,19,23)(H,21,24)
InChIKeyHAYMZNLGMWQCQB-UHFFFAOYSA-N
XLogP2.35
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
4-anilino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-nitrobenzamide
CID 25343813
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
4-anilino-3-nitrobenzoic acid
CID 3824366
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
N-methyl-3-nitro-4-[(5-oxopyrrolidin-3-yl)amino]benzamide
CID 103952523
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
4-(benzylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453893
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide (CID 60616996) is 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1.
What is the InChIKey of 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is HAYMZNLGMWQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17-9-7-14(11-19-17)21-18(24)12-6-8-15(16(10-12)22(25)26)20-13-4-2-1-3-5-13/h1-6,8,10,14,20H,7,9,11H2,(H,19,23)(H,21,24).
What are the key properties of 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide?
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 354.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 60616996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).