1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one

C16H22F2N2O3 — CID 56743324

IUPAC1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one
SMILESCOCCNCC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H22F2N2O3/c1-23-8-6-19-11-16(22)5-2-7-20(15(16)21)10-12-3-4-13(17)14(18)9-12/h3-4,9,19,22H,2,5-8,10-11H2,1H3
InChIKeyJWSBWLSXGJAGSH-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.05
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one

1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one (PubChem CID 56743324) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one
PubChem CID56743324
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one
SMILESCOCCNCC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H22F2N2O3/c1-23-8-6-19-11-16(22)5-2-7-20(15(16)21)10-12-3-4-13(17)14(18)9-12/h3-4,9,19,22H,2,5-8,10-11H2,1H3
InChIKeyJWSBWLSXGJAGSH-UHFFFAOYSA-N
XLogP1.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one (CID 56743324) is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one is COCCNCC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one?
The InChIKey is JWSBWLSXGJAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-23-8-6-19-11-16(22)5-2-7-20(15(16)21)10-12-3-4-13(17)14(18)9-12/h3-4,9,19,22H,2,5-8,10-11H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one has a molecular weight of 328.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-methoxyethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 56743324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).