(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C18H22FN3O4 — CID 51592543

IUPAC(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H22FN3O4/c1-18(16(24)20-17(25)21-18)8-5-15(23)22-9-6-13(7-10-22)26-14-4-2-3-12(19)11-14/h2-4,11,13H,5-10H2,1H3,(H2,20,21,24,25)/t18-/m0/s1
InChIKeyQCZSJHKFADFZFD-SFHVURJKSA-N
MW363.39 g/mol
LogP1.57
Rot. Bonds5

About (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51592543) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID51592543
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H22FN3O4/c1-18(16(24)20-17(25)21-18)8-5-15(23)22-9-6-13(7-10-22)26-14-4-2-3-12(19)11-14/h2-4,11,13H,5-10H2,1H3,(H2,20,21,24,25)/t18-/m0/s1
InChIKeyQCZSJHKFADFZFD-SFHVURJKSA-N
XLogP1.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139581796
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 46972537
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139529999
(5S)-5-methyl-5-[[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794410
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 51592543) is (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QCZSJHKFADFZFD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-18(16(24)20-17(25)21-18)8-5-15(23)22-9-6-13(7-10-22)26-14-4-2-3-12(19)11-14/h2-4,11,13H,5-10H2,1H3,(H2,20,21,24,25)/t18-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 363.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51592543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).