N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C19H20N4O4 — CID 9431636

IUPACN-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H20N4O4/c20-18(24)13-5-7-15(8-6-13)21-19(25)14-9-11-22(12-10-14)16-3-1-2-4-17(16)23(26)27/h1-8,14H,9-12H2,(H2,20,24)(H,21,25)
InChIKeyJRKWZFMMHUFGRM-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.55
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 9431636) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID9431636
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H20N4O4/c20-18(24)13-5-7-15(8-6-13)21-19(25)14-9-11-22(12-10-14)16-3-1-2-4-17(16)23(26)27/h1-8,14H,9-12H2,(H2,20,24)(H,21,25)
InChIKeyJRKWZFMMHUFGRM-UHFFFAOYSA-N
XLogP2.55
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.55
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-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-(4-carbamoylphenyl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 47064625
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
N-(1,3-benzodioxol-5-yl)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 41283279
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 9431636) is N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is NC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is JRKWZFMMHUFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c20-18(24)13-5-7-15(8-6-13)21-19(25)14-9-11-22(12-10-14)16-3-1-2-4-17(16)23(26)27/h1-8,14H,9-12H2,(H2,20,24)(H,21,25).
What are the key properties of N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9431636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).