1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

C20H22FN3O3 — CID 50789358

IUPAC1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1ccco1)N1CCC(N2CCN(Cc3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C20H22FN3O3/c21-16-4-1-3-15(13-16)14-23-10-11-24(20(23)26)17-6-8-22(9-7-17)19(25)18-5-2-12-27-18/h1-5,12-13,17H,6-11,14H2
InChIKeyWIMNMCKPEHGNOR-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.96
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 50789358) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID50789358
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1ccco1)N1CCC(N2CCN(Cc3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C20H22FN3O3/c21-16-4-1-3-15(13-16)14-23-10-11-24(20(23)26)17-6-8-22(9-7-17)19(25)18-5-2-12-27-18/h1-5,12-13,17H,6-11,14H2
InChIKeyWIMNMCKPEHGNOR-UHFFFAOYSA-N
XLogP2.96
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
CID 53004232
N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
CID 46055934
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
(4aR,8aS)-1-[2-(3-fluorophenyl)ethyl]-6-(furan-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 42471535
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 154793880
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 50789358) is 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is O=C(c1ccco1)N1CCC(N2CCN(Cc3cccc(F)c3)C2=O)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is WIMNMCKPEHGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-16-4-1-3-15(13-16)14-23-10-11-24(20(23)26)17-6-8-22(9-7-17)19(25)18-5-2-12-27-18/h1-5,12-13,17H,6-11,14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 371.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 50789358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).