1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one

C14H17BrN4O2 — CID 103754729

IUPAC1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1ccnc(Br)c1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H17BrN4O2/c15-12-9-10(1-4-16-12)13(20)18-6-2-11(3-7-18)19-8-5-17-14(19)21/h1,4,9,11H,2-3,5-8H2,(H,17,21)
InChIKeyDHWIKBRLGLCVOP-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.47
Rot. Bonds2

About 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 103754729) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID103754729
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1ccnc(Br)c1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H17BrN4O2/c15-12-9-10(1-4-16-12)13(20)18-6-2-11(3-7-18)19-8-5-17-14(19)21/h1,4,9,11H,2-3,5-8H2,(H,17,21)
InChIKeyDHWIKBRLGLCVOP-UHFFFAOYSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61062075
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 62787379
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 103754729) is 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one is O=C(c1ccnc(Br)c1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is DHWIKBRLGLCVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c15-12-9-10(1-4-16-12)13(20)18-6-2-11(3-7-18)19-8-5-17-14(19)21/h1,4,9,11H,2-3,5-8H2,(H,17,21).
What are the key properties of 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 353.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 103754729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).