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

C28H34FN3O4 — CID 42452027

IUPAC(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cc(CN2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)ccc1O
InChIInChI=1S/C28H34FN3O4/c1-36-25-16-20(8-11-24(25)33)18-31-14-12-21(13-15-31)28(17-19-6-9-22(29)10-7-19)26(34)32(27(35)30-28)23-4-2-3-5-23/h6-11,16,21,23,33H,2-5,12-15,17-18H2,1H3,(H,30,35)/t28-/m0/s1
InChIKeyWOIXGHLGEDAARM-NDEPHWFRSA-N
MW495.60 g/mol
LogP4.23
Rot. Bonds7

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

(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42452027) has the molecular formula C28H34FN3O4 and a molecular weight of 495.60 g/mol. Its IUPAC name is (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42452027
Molecular FormulaC28H34FN3O4
Molecular Weight495.60 g/mol
Exact Mass495.25
IUPAC Name(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cc(CN2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)ccc1O
InChIInChI=1S/C28H34FN3O4/c1-36-25-16-20(8-11-24(25)33)18-31-14-12-21(13-15-31)28(17-19-6-9-22(29)10-7-19)26(34)32(27(35)30-28)23-4-2-3-5-23/h6-11,16,21,23,33H,2-5,12-15,17-18H2,1H3,(H,30,35)/t28-/m0/s1
InChIKeyWOIXGHLGEDAARM-NDEPHWFRSA-N
XLogP4.23
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.23
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

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-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42274167
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 95719824
(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
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;oxalic acid
CID 2838108
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193946
5-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 118756895
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42452027) is (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is COc1cc(CN2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)ccc1O.
What is the InChIKey of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is WOIXGHLGEDAARM-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H34FN3O4/c1-36-25-16-20(8-11-24(25)33)18-31-14-12-21(13-15-31)28(17-19-6-9-22(29)10-7-19)26(34)32(27(35)30-28)23-4-2-3-5-23/h6-11,16,21,23,33H,2-5,12-15,17-18H2,1H3,(H,30,35)/t28-/m0/s1.
What are the key properties of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 495.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42452027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).