1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one

C23H34F2N4O3S — CID 11598240

IUPAC1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one
SMILESCS(=O)(=O)N1CCC([C@@H](CCN2CCC(N3CCNC3=O)CC2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H34F2N4O3S/c1-33(31,32)28-11-2-17(3-12-28)22(18-14-19(24)16-20(25)15-18)6-10-27-8-4-21(5-9-27)29-13-7-26-23(29)30/h14-17,21-22H,2-13H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyOOZWLTNYODSRCK-JOCHJYFZSA-N
MW484.61 g/mol
LogP2.60
Rot. Bonds7

About 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 11598240) has the molecular formula C23H34F2N4O3S and a molecular weight of 484.61 g/mol. Its IUPAC name is 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID11598240
Molecular FormulaC23H34F2N4O3S
Molecular Weight484.61 g/mol
Exact Mass484.23
IUPAC Name1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one
SMILESCS(=O)(=O)N1CCC([C@@H](CCN2CCC(N3CCNC3=O)CC2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H34F2N4O3S/c1-33(31,32)28-11-2-17(3-12-28)22(18-14-19(24)16-20(25)15-18)6-10-27-8-4-21(5-9-27)29-13-7-26-23(29)30/h14-17,21-22H,2-13H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyOOZWLTNYODSRCK-JOCHJYFZSA-N
XLogP2.60
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
[(3R,4S)-3-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-methylamino]-4-phenylpyrrolidin-1-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 52943091
[(3R,4S)-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl-methylamino]-4-phenylpyrrolidin-1-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 52946937
N-[2-(2-fluorophenyl)ethyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 53505692
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)methanesulfonamide
CID 71784664
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)butane-1-sulfonamide
CID 71784668
N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide
CID 75463580
3-(1-Methanesulfonylpiperidin-4-YL)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 91910325
N-[2-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 45807629

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one (CID 11598240) is 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one is CS(=O)(=O)N1CCC([C@@H](CCN2CCC(N3CCNC3=O)CC2)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is OOZWLTNYODSRCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H34F2N4O3S/c1-33(31,32)28-11-2-17(3-12-28)22(18-14-19(24)16-20(25)15-18)6-10-27-8-4-21(5-9-27)29-13-7-26-23(29)30/h14-17,21-22H,2-13H2,1H3,(H,26,30)/t22-/m1/s1.
What are the key properties of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 484.61 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 11598240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).