N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide

C20H22N4O4 — CID 33102987

IUPACN-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H22N4O4/c25-19(22-17-8-4-5-9-18(17)24(27)28)14-23-12-10-16(11-13-23)21-20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,26)(H,22,25)
InChIKeyUEIHOEBWGSBZNP-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.43
Rot. Bonds6

About N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 33102987) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID33102987
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H22N4O4/c25-19(22-17-8-4-5-9-18(17)24(27)28)14-23-12-10-16(11-13-23)21-20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,26)(H,22,25)
InChIKeyUEIHOEBWGSBZNP-UHFFFAOYSA-N
XLogP2.43
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
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

2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 16555008
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide (CID 33102987) is N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide is O=C(CN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is UEIHOEBWGSBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-19(22-17-8-4-5-9-18(17)24(27)28)14-23-12-10-16(11-13-23)21-20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,26)(H,22,25).
What are the key properties of N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33102987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).