2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide

C20H21F2N3O3 — CID 119806116

IUPAC2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
SMILESNc1ccc(CC(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H21F2N3O3/c21-20(22)28-16-9-7-15(8-10-16)25-11-1-2-17(19(25)27)24-18(26)12-13-3-5-14(23)6-4-13/h3-10,17,20H,1-2,11-12,23H2,(H,24,26)
InChIKeyARSPPHVUPJDXFR-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide

2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide (PubChem CID 119806116) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
PubChem CID119806116
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
SMILESNc1ccc(CC(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H21F2N3O3/c21-20(22)28-16-9-7-15(8-10-16)25-11-1-2-17(19(25)27)24-18(26)12-13-3-5-14(23)6-4-13/h3-10,17,20H,1-2,11-12,23H2,(H,24,26)
InChIKeyARSPPHVUPJDXFR-UHFFFAOYSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119806149
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
CID 119806156
2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
4-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxane-4-carboxamide
CID 120935390
(2S,5R)-5-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxolane-2-carboxamide
CID 120795138
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide
CID 166328086
3-[[[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122031444

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide (CID 119806116) is 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide is Nc1ccc(CC(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide?
The InChIKey is ARSPPHVUPJDXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-20(22)28-16-9-7-15(8-10-16)25-11-1-2-17(19(25)27)24-18(26)12-13-3-5-14(23)6-4-13/h3-10,17,20H,1-2,11-12,23H2,(H,24,26).
What are the key properties of 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide?
2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 119806116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).