1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C20H19BrN4O3 — CID 91819450

IUPAC1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H19BrN4O3/c21-15-10-14(11-22-12-15)19(27)23-8-6-16(7-9-23)24-13-18(26)25(20(24)28)17-4-2-1-3-5-17/h1-5,10-12,16H,6-9,13H2
InChIKeyBRHGZSMIVOCUTE-UHFFFAOYSA-N
MW443.30 g/mol
LogP2.92
Rot. Bonds3

About 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 91819450) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID91819450
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H19BrN4O3/c21-15-10-14(11-22-12-15)19(27)23-8-6-16(7-9-23)24-13-18(26)25(20(24)28)17-4-2-1-3-5-17/h1-5,10-12,16H,6-9,13H2
InChIKeyBRHGZSMIVOCUTE-UHFFFAOYSA-N
XLogP2.92
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819499
1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 139306179
(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62229980
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 91819450) is 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is O=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is BRHGZSMIVOCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c21-15-10-14(11-22-12-15)19(27)23-8-6-16(7-9-23)24-13-18(26)25(20(24)28)17-4-2-1-3-5-17/h1-5,10-12,16H,6-9,13H2.
What are the key properties of 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 443.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91819450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).