1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one

C18H21BrN2O3 — CID 127269784

IUPAC1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H21BrN2O3/c19-15-3-1-13(2-4-15)17(23)20-9-5-14(6-10-20)18(24)21-11-7-16(22)8-12-21/h1-4,14H,5-12H2
InChIKeyPLQOEROBHQKIHH-UHFFFAOYSA-N
MW393.28 g/mol
LogP2.49
Rot. Bonds2

About 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one

1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one (PubChem CID 127269784) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
PubChem CID127269784
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H21BrN2O3/c19-15-3-1-13(2-4-15)17(23)20-9-5-14(6-10-20)18(24)21-11-7-16(22)8-12-21/h1-4,14H,5-12H2
InChIKeyPLQOEROBHQKIHH-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293210
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
4-(4-oxopiperidine-1-carbonyl)benzoic acid
CID 2757374
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one?
The IUPAC name of 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one (CID 127269784) is 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one is O=C1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one?
The InChIKey is PLQOEROBHQKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c19-15-3-1-13(2-4-15)17(23)20-9-5-14(6-10-20)18(24)21-11-7-16(22)8-12-21/h1-4,14H,5-12H2.
What are the key properties of 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one?
1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one has a molecular weight of 393.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one is sourced from PubChem (CID 127269784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).