[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C15H19BrN2O — CID 134034309

IUPAC[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C15H19BrN2O/c1-17-7-9-18(10-8-17)14(19)15(5-6-15)12-3-2-4-13(16)11-12/h2-4,11H,5-10H2,1H3
InChIKeyQCHXXTCXOFSPAJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.25
Rot. Bonds2

About [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134034309) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134034309
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C15H19BrN2O/c1-17-7-9-18(10-8-17)14(19)15(5-6-15)12-3-2-4-13(16)11-12/h2-4,11H,5-10H2,1H3
InChIKeyQCHXXTCXOFSPAJ-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 115056085
(3R)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695146
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256916
[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55807895
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
[1-(3-bromophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022790
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 134034309) is [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1.
What is the InChIKey of [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QCHXXTCXOFSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-17-7-9-18(10-8-17)14(19)15(5-6-15)12-3-2-4-13(16)11-12/h2-4,11H,5-10H2,1H3.
What are the key properties of [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 323.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134034309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).