1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one

C25H30FN3O3 — CID 10503205

IUPAC1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESO=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1c1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c26-20-5-7-21(8-6-20)29-16-15-28(25(29)30)14-11-19-9-12-27(13-10-19)17-22-18-31-23-3-1-2-4-24(23)32-22/h1-8,19,22H,9-18H2
InChIKeyCUKKDSZGDDPEQR-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.01
Rot. Bonds6

About 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one

1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one (PubChem CID 10503205) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one
PubChem CID10503205
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESO=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1c1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c26-20-5-7-21(8-6-20)29-16-15-28(25(29)30)14-11-19-9-12-27(13-10-19)17-22-18-31-23-3-1-2-4-24(23)32-22/h1-8,19,22H,9-18H2
InChIKeyCUKKDSZGDDPEQR-UHFFFAOYSA-N
XLogP4.01
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one
CID 15839670
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319
3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one
CID 11047487
(4S)-4-benzyl-3-[2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one;sulfane
CID 159611400
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 21241617
1-(4-fluorophenyl)-3-[2-[4-(2-phenoxyethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 22390759
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-1,4-diazepane
CID 134708736
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90273091
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylamino]ethanol
CID 123316472
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 144663448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one (CID 10503205) is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one is O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1c1ccc(F)cc1.
What is the InChIKey of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The InChIKey is CUKKDSZGDDPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c26-20-5-7-21(8-6-20)29-16-15-28(25(29)30)14-11-19-9-12-27(13-10-19)17-22-18-31-23-3-1-2-4-24(23)32-22/h1-8,19,22H,9-18H2.
What are the key properties of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one has a molecular weight of 439.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 10503205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).