(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C26H32FN3O4 — CID 42452710

IUPAC(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C[C@H](C)N2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)ccc1O
InChIInChI=1S/C26H32FN3O4/c1-17(14-19-6-9-22(31)23(15-19)34-3)29-12-10-20(11-13-29)26(2)24(32)30(25(33)28-26)16-18-4-7-21(27)8-5-18/h4-9,15,17,20,31H,10-14,16H2,1-3H3,(H,28,33)/t17-,26-/m0/s1
InChIKeyAMIKSVWVBCTJGE-QLXKLKPCSA-N
MW469.56 g/mol
LogP3.69
Rot. Bonds7

About (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 42452710) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID42452710
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC Name(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C[C@H](C)N2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)ccc1O
InChIInChI=1S/C26H32FN3O4/c1-17(14-19-6-9-22(31)23(15-19)34-3)29-12-10-20(11-13-29)26(2)24(32)30(25(33)28-26)16-18-4-7-21(27)8-5-18/h4-9,15,17,20,31H,10-14,16H2,1-3H3,(H,28,33)/t17-,26-/m0/s1
InChIKeyAMIKSVWVBCTJGE-QLXKLKPCSA-N
XLogP3.69
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204257
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42452027
2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
CID 40514865
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
5-cyclopropyl-3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17440358
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26346018
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
CID 84747688
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 42452710) is (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1cc(C[C@H](C)N2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)ccc1O.
What is the InChIKey of (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AMIKSVWVBCTJGE-QLXKLKPCSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-17(14-19-6-9-22(31)23(15-19)34-3)29-12-10-20(11-13-29)26(2)24(32)30(25(33)28-26)16-18-4-7-21(27)8-5-18/h4-9,15,17,20,31H,10-14,16H2,1-3H3,(H,28,33)/t17-,26-/m0/s1.
What are the key properties of (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 469.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42452710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).