3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide

C19H19F2N3O3 — CID 119806136

IUPAC3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H19F2N3O3/c20-19(21)27-15-8-6-14(7-9-15)24-10-2-5-16(18(24)26)23-17(25)12-3-1-4-13(22)11-12/h1,3-4,6-9,11,16,19H,2,5,10,22H2,(H,23,25)
InChIKeyKGNCSYMTQFMBAD-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide

3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide (PubChem CID 119806136) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
PubChem CID119806136
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H19F2N3O3/c20-19(21)27-15-8-6-14(7-9-15)24-10-2-5-16(18(24)26)23-17(25)12-3-1-4-13(22)11-12/h1,3-4,6-9,11,16,19H,2,5,10,22H2,(H,23,25)
InChIKeyKGNCSYMTQFMBAD-UHFFFAOYSA-N
XLogP2.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
3-[[[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122031444
2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
CID 119806116
3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10025470
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
CID 119806156
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119806149
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide (CID 119806136) is 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide is Nc1cccc(C(=O)NC2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1.
What is the InChIKey of 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide?
The InChIKey is KGNCSYMTQFMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c20-19(21)27-15-8-6-14(7-9-15)24-10-2-5-16(18(24)26)23-17(25)12-3-1-4-13(22)11-12/h1,3-4,6-9,11,16,19H,2,5,10,22H2,(H,23,25).
What are the key properties of 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide?
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide has a molecular weight of 375.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 119806136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).