(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H30FN3O3 — CID 42192312

IUPAC(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc([C@H](C)CCN2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)o1
InChIInChI=1S/C24H30FN3O3/c1-16(21-8-7-17(2)31-21)9-12-28-13-10-19(11-14-28)24(22(29)26-23(30)27-24)15-18-5-3-4-6-20(18)25/h3-8,16,19H,9-15H2,1-2H3,(H2,26,27,29,30)/t16-,24+/m1/s1
InChIKeyAWGZMYJXGUQGEO-GYCJOSAFSA-N
MW427.52 g/mol
LogP3.75
Rot. Bonds7

About (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42192312) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42192312
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc([C@H](C)CCN2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)o1
InChIInChI=1S/C24H30FN3O3/c1-16(21-8-7-17(2)31-21)9-12-28-13-10-19(11-14-28)24(22(29)26-23(30)27-24)15-18-5-3-4-6-20(18)25/h3-8,16,19H,9-15H2,1-2H3,(H2,26,27,29,30)/t16-,24+/m1/s1
InChIKeyAWGZMYJXGUQGEO-GYCJOSAFSA-N
XLogP3.75
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.75
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

5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126462350
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42322122
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204894
(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42318147
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42343993
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 45218567
5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 45183704

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42192312) is (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccc([C@H](C)CCN2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)o1.
What is the InChIKey of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is AWGZMYJXGUQGEO-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-16(21-8-7-17(2)31-21)9-12-28-13-10-19(11-14-28)24(22(29)26-23(30)27-24)15-18-5-3-4-6-20(18)25/h3-8,16,19H,9-15H2,1-2H3,(H2,26,27,29,30)/t16-,24+/m1/s1.
What are the key properties of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 427.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42192312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).