N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide

C20H22N4O3 — CID 108525493

IUPACN'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide
SMILESNc1ccc(N(C(=O)C(=O)NC(=O)C2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N4O3/c21-15-6-8-17(9-7-15)24(16-4-2-1-3-5-16)20(27)19(26)23-18(25)14-10-12-22-13-11-14/h1-9,14,22H,10-13,21H2,(H,23,25,26)
InChIKeyZEJLQDIPHGTYGJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.58
Rot. Bonds3

About N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide

N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide (PubChem CID 108525493) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide
PubChem CID108525493
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide
SMILESNc1ccc(N(C(=O)C(=O)NC(=O)C2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N4O3/c21-15-6-8-17(9-7-15)24(16-4-2-1-3-5-16)20(27)19(26)23-18(25)14-10-12-22-13-11-14/h1-9,14,22H,10-13,21H2,(H,23,25,26)
InChIKeyZEJLQDIPHGTYGJ-UHFFFAOYSA-N
XLogP1.58
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
CID 108517237
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
CID 108525369
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-benzylpiperidine-4-carboxamide
CID 3868064
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
N-(4-carbamoylphenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530454
N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
CID 108511634
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide (CID 108525493) is N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide is Nc1ccc(N(C(=O)C(=O)NC(=O)C2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide?
The InChIKey is ZEJLQDIPHGTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-15-6-8-17(9-7-15)24(16-4-2-1-3-5-16)20(27)19(26)23-18(25)14-10-12-22-13-11-14/h1-9,14,22H,10-13,21H2,(H,23,25,26).
What are the key properties of N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide?
N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide has a molecular weight of 366.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108525493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).