1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one

C15H17BrN2O2 — CID 24715924

IUPAC1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2cccc(Br)c2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-4-2-3-12(16)9-13)8-7-17(10)15(20)11-5-6-11/h2-4,9-11H,5-8H2,1H3
InChIKeyAKPDUAZKFUMVTQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.42
Rot. Bonds2

About 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one

1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 24715924) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
PubChem CID24715924
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2cccc(Br)c2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-4-2-3-12(16)9-13)8-7-17(10)15(20)11-5-6-11/h2-4,9-11H,5-8H2,1H3
InChIKeyAKPDUAZKFUMVTQ-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
1-(1,3-benzodioxol-5-yl)-4-(3-bromobenzoyl)-3-methylpiperazin-2-one
CID 46155649
1-(3-bromophenyl)-3-methyl-4-[2-(methylamino)ethyl]piperazin-2-one
CID 84606820
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171
(3R)-1-(3-bromophenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321240
(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 95208197

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one (CID 24715924) is 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2cccc(Br)c2)CCN1C(=O)C1CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is AKPDUAZKFUMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-4-2-3-12(16)9-13)8-7-17(10)15(20)11-5-6-11/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one has a molecular weight of 337.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).