N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C20H22N4O4 — CID 26114451

IUPACN-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)21-16-5-4-6-17(13-16)22-20(26)15-9-11-23(12-10-15)18-7-2-3-8-19(18)24(27)28/h2-8,13,15H,9-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyAPGAOVWCZUCWSB-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.41
Rot. Bonds5

About N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 26114451) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID26114451
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)21-16-5-4-6-17(13-16)22-20(26)15-9-11-23(12-10-15)18-7-2-3-8-19(18)24(27)28/h2-8,13,15H,9-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyAPGAOVWCZUCWSB-UHFFFAOYSA-N
XLogP3.41
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.41
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

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 34332556
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26249655
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
N-(1,3-benzodioxol-5-yl)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 41283279
N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 27825671
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 26114451) is N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is APGAOVWCZUCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(25)21-16-5-4-6-17(13-16)22-20(26)15-9-11-23(12-10-15)18-7-2-3-8-19(18)24(27)28/h2-8,13,15H,9-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26114451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).