[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

C22H25BrN4O2 — CID 10504028

IUPAC[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(C(=O)C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-3-1-17(2-4-19)21(28)26-13-15-27(16-14-26)22(29)18-7-11-25(12-8-18)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-16H2
InChIKeyIIIPAUHUADQDJI-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.05
Rot. Bonds3

About [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 10504028) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID10504028
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(C(=O)C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-3-1-17(2-4-19)21(28)26-13-15-27(16-14-26)22(29)18-7-11-25(12-8-18)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-16H2
InChIKeyIIIPAUHUADQDJI-UHFFFAOYSA-N
XLogP3.05
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-3-pyridyl)methanone
CID 9575320
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3,5-dibromo-4-pyridyl)methanone
CID 6532435
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-3-pyridyl)methanone
CID 9574357
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3,5-dibromo-1-oxido-pyridin-1-ium-4-yl)methanone
CID 9579116
4-bromo-N-(pyridin-3-yl)benzamide
CID 603115
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(3,5-dibromo-4-pyridinyl)methanone
CID 5482301
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(3,5-dibromo-1-oxidopyridin-1-ium-4-yl)methanone
CID 5495582
4-Bromo-N-4-pyridinylbenzamide
CID 767341
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3,5-dimethyl-4-pyridyl)methanone
CID 6533779
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-methyl-3-pyridyl)methanone
CID 9579318
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3-methyl-1-oxido-pyridin-1-ium-2-yl)methanone
CID 9579325
1-(2-(4-Bromophenyl)-2-oxoethyl)-4-(dimethylamino)pyridin-1-ium chloride
CID 16189336

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (CID 10504028) is [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is O=C(c1ccc(Br)cc1)N1CCN(C(=O)C2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is IIIPAUHUADQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c23-19-3-1-17(2-4-19)21(28)26-13-15-27(16-14-26)22(29)18-7-11-25(12-8-18)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-16H2.
What are the key properties of [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
[4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 457.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromobenzoyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 10504028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).