5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C25H27N3O6 — CID 45249473

IUPAC5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC(C4(C)NC(=O)NC4=O)CC3)cc2)c1
InChIInChI=1S/C25H27N3O6/c1-25(23(31)26-24(32)27-25)17-10-12-28(13-11-17)22(30)16-6-4-15(5-7-16)21(29)19-14-18(33-2)8-9-20(19)34-3/h4-9,14,17H,10-13H2,1-3H3,(H2,26,27,31,32)
InChIKeyKVWQQIAAXHHHMS-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.39
Rot. Bonds6

About 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45249473) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45249473
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC(C4(C)NC(=O)NC4=O)CC3)cc2)c1
InChIInChI=1S/C25H27N3O6/c1-25(23(31)26-24(32)27-25)17-10-12-28(13-11-17)22(30)16-6-4-15(5-7-16)21(29)19-14-18(33-2)8-9-20(19)34-3/h4-9,14,17H,10-13H2,1-3H3,(H2,26,27,31,32)
InChIKeyKVWQQIAAXHHHMS-UHFFFAOYSA-N
XLogP2.39
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone
CID 26363433
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 24659198
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494470
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
(2R,5S)-2-(2,5-dimethoxyphenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-5-methyl-1,3-thiazolidin-4-one
CID 93306805

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45249473) is 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC(C4(C)NC(=O)NC4=O)CC3)cc2)c1.
What is the InChIKey of 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KVWQQIAAXHHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-25(23(31)26-24(32)27-25)17-10-12-28(13-11-17)22(30)16-6-4-15(5-7-16)21(29)19-14-18(33-2)8-9-20(19)34-3/h4-9,14,17H,10-13H2,1-3H3,(H2,26,27,31,32).
What are the key properties of 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 465.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45249473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).