1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone

C14H16BrN3O — CID 84604743

IUPAC1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(Br)c3ccccn23)CC1
InChIInChI=1S/C14H16BrN3O/c1-10(19)17-8-5-11(6-9-17)14-16-13(15)12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyVDJWDRXUPVBJQR-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.82
Rot. Bonds1

About 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone

1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 84604743) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID84604743
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(Br)c3ccccn23)CC1
InChIInChI=1S/C14H16BrN3O/c1-10(19)17-8-5-11(6-9-17)14-16-13(15)12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyVDJWDRXUPVBJQR-UHFFFAOYSA-N
XLogP2.82
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117250339
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84743441
tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
CID 171544233
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110626369
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743442
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83904650
1-[4-(7-methoxy-1-phenylimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 126473836
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83904648
1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone
CID 142914293
2-(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 75357284
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358
N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 84604743) is 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(Br)c3ccccn23)CC1.
What is the InChIKey of 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is VDJWDRXUPVBJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(19)17-8-5-11(6-9-17)14-16-13(15)12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-9H2,1H3.
What are the key properties of 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone?
1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 322.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 84604743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).