(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

C10H14BrN3O — CID 103512083

IUPAC(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C10H14BrN3O/c1-13-7-12-5-9(13)10(15)14-4-2-3-8(11)6-14/h5,7-8H,2-4,6H2,1H3
InChIKeyLMBXQEMPWIFQFI-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.42
Rot. Bonds1

About (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 103512083) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID103512083
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C10H14BrN3O/c1-13-7-12-5-9(13)10(15)14-4-2-3-8(11)6-14/h5,7-8H,2-4,6H2,1H3
InChIKeyLMBXQEMPWIFQFI-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 103512083) is (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC(Br)C1.
What is the InChIKey of (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is LMBXQEMPWIFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-13-7-12-5-9(13)10(15)14-4-2-3-8(11)6-14/h5,7-8H,2-4,6H2,1H3.
What are the key properties of (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103512083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).