N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C17H24ClF2N3O4 — CID 119806149

IUPACN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl
InChIInChI=1S/C17H23F2N3O4.ClH/c1-25-10-8-20-11-15(23)21-14-3-2-9-22(16(14)24)12-4-6-13(7-5-12)26-17(18)19;/h4-7,14,17,20H,2-3,8-11H2,1H3,(H,21,23);1H
InChIKeyMDNFUZAQWJXPJU-UHFFFAOYSA-N
MW407.85 g/mol
LogP1.56
Rot. Bonds9

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

N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119806149) has the molecular formula C17H24ClF2N3O4 and a molecular weight of 407.85 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119806149
Molecular FormulaC17H24ClF2N3O4
Molecular Weight407.85 g/mol
Exact Mass407.14
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl
InChIInChI=1S/C17H23F2N3O4.ClH/c1-25-10-8-20-11-15(23)21-14-3-2-9-22(16(14)24)12-4-6-13(7-5-12)26-17(18)19;/h4-7,14,17,20H,2-3,8-11H2,1H3,(H,21,23);1H
InChIKeyMDNFUZAQWJXPJU-UHFFFAOYSA-N
XLogP1.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
CID 119806116
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
CID 119806156
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119806149) is N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.Cl.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is MDNFUZAQWJXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O4.ClH/c1-25-10-8-20-11-15(23)21-14-3-2-9-22(16(14)24)12-4-6-13(7-5-12)26-17(18)19;/h4-7,14,17,20H,2-3,8-11H2,1H3,(H,21,23);1H.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 407.85 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119806149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).