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

C15H17BrN2O2 — CID 24715960

IUPAC1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyHKKAZIRXAUFXRX-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.42
Rot. Bonds2

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

1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 24715960) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
PubChem CID24715960
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyHKKAZIRXAUFXRX-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one (CID 24715960) is 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is HKKAZIRXAUFXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one?
1-(4-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-(4-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24715960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).