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'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N-(3-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791214
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
3-[(Cyclopentylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45248885
1-(2,3-Difluorobenzyl)-3-{[(3-fluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45227864
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide
CID 10683176
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
3-[(Benzylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45180101
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-methyl-2-propen-1-yl)amino]methyl}-2-piperidinone
CID 45181479
1-(2,3-Difluorobenzyl)-3-hydroxy-3-(1-piperidinylmethyl)-2-piperidinone
CID 45188113
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(1-methyl-4-piperidinyl)amino]methyl}-2-piperidinone
CID 45189456

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).