1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide

C20H21N3O4 — CID 44902818

IUPAC1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21N3O4/c21-18(24)14-10-12-23(13-11-14)20(26)19(25)22-15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H2,21,24)(H,22,25)
InChIKeyCQPYPHGUXPYSIG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide

1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide (PubChem CID 44902818) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
PubChem CID44902818
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21N3O4/c21-18(24)14-10-12-23(13-11-14)20(26)19(25)22-15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H2,21,24)(H,22,25)
InChIKeyCQPYPHGUXPYSIG-UHFFFAOYSA-N
XLogP2.14
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 1314895
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902219
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 45001400
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide (CID 44902818) is 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is CQPYPHGUXPYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c21-18(24)14-10-12-23(13-11-14)20(26)19(25)22-15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H2,21,24)(H,22,25).
What are the key properties of 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide?
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 44902818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).