1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one

C17H22F2N2O2 — CID 45177516

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCC1
InChIInChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)11-21-10-4-7-17(23,16(21)22)12-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2
InChIKeyLEJGGLFZSAGCKF-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.91
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one (PubChem CID 45177516) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
PubChem CID45177516
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCC1
InChIInChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)11-21-10-4-7-17(23,16(21)22)12-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2
InChIKeyLEJGGLFZSAGCKF-UHFFFAOYSA-N
XLogP1.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluorobenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine oxalate
CID 2933676
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
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,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54698241
[1-(3-Fluorobenzyl)piperidin-3-yl](pyrrolidin-1-yl)methanone
CID 5154601
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one (CID 45177516) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one is O=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The InChIKey is LEJGGLFZSAGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)11-21-10-4-7-17(23,16(21)22)12-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one has a molecular weight of 324.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45177516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).