(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C18H24FN3O3 — CID 97090048

IUPAC(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C18H24FN3O3/c1-18(16(23)21(2)17(24)20-18)13-5-4-8-22(11-13)10-12-9-14(19)6-7-15(12)25-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyMTWIFQZURLUVRK-ACJLOTCBSA-N
MW349.41 g/mol
LogP1.99
Rot. Bonds4

About (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 97090048) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID97090048
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C18H24FN3O3/c1-18(16(23)21(2)17(24)20-18)13-5-4-8-22(11-13)10-12-9-14(19)6-7-15(12)25-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyMTWIFQZURLUVRK-ACJLOTCBSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 146103415
(3aR,7aS)-2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9330643
(4aS,8aR)-6-[(5-fluoro-2-methoxyphenyl)methyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56905158
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 97090048) is (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is COc1ccc(F)cc1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1.
What is the InChIKey of (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MTWIFQZURLUVRK-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-18(16(23)21(2)17(24)20-18)13-5-4-8-22(11-13)10-12-9-14(19)6-7-15(12)25-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,24)/t13-,18+/m1/s1.
What are the key properties of (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 349.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 97090048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).