N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide

C19H21N3O2 — CID 108517237

IUPACN-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c20-15-9-11-17(12-10-15)22(16-7-3-1-4-8-16)19(24)18(23)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14,20H2
InChIKeyUPOIRBOXGFOMOK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds2

About N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide

N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide (PubChem CID 108517237) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
PubChem CID108517237
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c20-15-9-11-17(12-10-15)22(16-7-3-1-4-8-16)19(24)18(23)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14,20H2
InChIKeyUPOIRBOXGFOMOK-UHFFFAOYSA-N
XLogP2.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
CID 108522831
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
CID 108517834
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108525488
N,N-diphenyl-4-(piperidine-1-carbonyl)piperazine-1-carboxamide
CID 991675
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
[2-oxo-2-(N-phenylanilino)ethyl] piperidine-1-carbodithioate
CID 56735144
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
CID 108525377
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide
CID 108525493
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide (CID 108517237) is N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide is Nc1ccc(N(C(=O)C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide?
The InChIKey is UPOIRBOXGFOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-15-9-11-17(12-10-15)22(16-7-3-1-4-8-16)19(24)18(23)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14,20H2.
What are the key properties of N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide?
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 108517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).