N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C20H22N4O4 — CID 55836642

IUPACN-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c25-19(22-16-6-2-1-3-7-16)14-21-20(26)15-10-12-23(13-11-15)17-8-4-5-9-18(17)24(27)28/h1-9,15H,10-14H2,(H,21,26)(H,22,25)
InChIKeyDZOPUWJZCVYEAT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.57
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 55836642) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID55836642
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c25-19(22-16-6-2-1-3-7-16)14-21-20(26)15-10-12-23(13-11-15)17-8-4-5-9-18(17)24(27)28/h1-9,15H,10-14H2,(H,21,26)(H,22,25)
InChIKeyDZOPUWJZCVYEAT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 55836642) is N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is O=C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is DZOPUWJZCVYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-19(22-16-6-2-1-3-7-16)14-21-20(26)15-10-12-23(13-11-15)17-8-4-5-9-18(17)24(27)28/h1-9,15H,10-14H2,(H,21,26)(H,22,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55836642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).