1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one

C16H21F2N3O — CID 95590517

IUPAC1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C16H21F2N3O/c1-11(14-5-4-12(17)9-15(14)18)20-7-2-3-13(10-20)21-8-6-19-16(21)22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyOXPAIYYOXDYJRY-AAEUAGOBSA-N
MW309.36 g/mol
LogP2.52
Rot. Bonds3

About 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95590517) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95590517
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC Name1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C16H21F2N3O/c1-11(14-5-4-12(17)9-15(14)18)20-7-2-3-13(10-20)21-8-6-19-16(21)22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyOXPAIYYOXDYJRY-AAEUAGOBSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
3-[1-(2,4-difluorophenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491116
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
CID 107721149
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
2-[1-(2-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986474
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one (CID 95590517) is 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one is C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is OXPAIYYOXDYJRY-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H21F2N3O/c1-11(14-5-4-12(17)9-15(14)18)20-7-2-3-13(10-20)21-8-6-19-16(21)22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,19,22)/t11-,13-/m0/s1.
What are the key properties of 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95590517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).