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

C25H31N3O4 — CID 42318894

IUPAC(5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-27-23(29)25(26-24(27)30,16-19-5-4-6-22(15-19)32-3)20-11-13-28(14-12-20)17-18-7-9-21(31-2)10-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,30)/t25-/m0/s1
InChIKeyNTSAFZOVOIVZBR-VWLOTQADSA-N
MW437.54 g/mol
LogP3.08
Rot. Bonds7

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

(5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 42318894) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
PubChem CID42318894
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name(5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-27-23(29)25(26-24(27)30,16-19-5-4-6-22(15-19)32-3)20-11-13-28(14-12-20)17-18-7-9-21(31-2)10-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,30)/t25-/m0/s1
InChIKeyNTSAFZOVOIVZBR-VWLOTQADSA-N
XLogP3.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
6'-methoxy-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione
CID 2998139
5-(4-Methoxyphenyl)imidazolidine-2,4-dione
CID 265445
Idanpramine
CID 58521
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2483511
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2550380
5-(4-Heptoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2835311
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3984307

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 42318894) is (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is COc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)cc1.
What is the InChIKey of (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is NTSAFZOVOIVZBR-VWLOTQADSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-27-23(29)25(26-24(27)30,16-19-5-4-6-22(15-19)32-3)20-11-13-28(14-12-20)17-18-7-9-21(31-2)10-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,30)/t25-/m0/s1.
What are the key properties of (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
(5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 437.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).