3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

C16H18BrN3O4 — CID 121160255

IUPAC3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(Br)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1
InChIInChI=1S/C16H18BrN3O4/c1-24-11-2-3-13(17)12(8-11)15(22)19-6-4-10(5-7-19)20-14(21)9-18-16(20)23/h2-3,8,10H,4-7,9H2,1H3,(H,18,23)
InChIKeyVZYPQURXKLJRRW-UHFFFAOYSA-N
MW396.24 g/mol
LogP1.61
Rot. Bonds3

About 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160255) has the molecular formula C16H18BrN3O4 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160255
Molecular FormulaC16H18BrN3O4
Molecular Weight396.24 g/mol
Exact Mass395.05
IUPAC Name3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(Br)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1
InChIInChI=1S/C16H18BrN3O4/c1-24-11-2-3-13(17)12(8-11)15(22)19-6-4-10(5-7-19)20-14(21)9-18-16(20)23/h2-3,8,10H,4-7,9H2,1H3,(H,18,23)
InChIKeyVZYPQURXKLJRRW-UHFFFAOYSA-N
XLogP1.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-bromo-5-methoxybenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814964
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
(2-bromo-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482586
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
1-[1-(2-bromo-5-methoxybenzoyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 91625264
(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180
3-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160207
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
(2-bromo-5-methoxyphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114682915

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160255) is 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is COc1ccc(Br)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1.
What is the InChIKey of 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VZYPQURXKLJRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O4/c1-24-11-2-3-13(17)12(8-11)15(22)19-6-4-10(5-7-19)20-14(21)9-18-16(20)23/h2-3,8,10H,4-7,9H2,1H3,(H,18,23).
What are the key properties of 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 396.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).