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

C17H21BrN2O2 — CID 46036216

IUPAC1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C17H21BrN2O2/c1-12-16(21)20(15-8-6-14(18)7-9-15)11-10-19(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyCQKCSDBCSGYKAC-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.20
Rot. Bonds2

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

1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 46036216) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one
PubChem CID46036216
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C17H21BrN2O2/c1-12-16(21)20(15-8-6-14(18)7-9-15)11-10-19(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyCQKCSDBCSGYKAC-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.20
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-(cyclopentanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one (CID 46036216) is 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is CQKCSDBCSGYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-12-16(21)20(15-8-6-14(18)7-9-15)11-10-19(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one?
1-(4-bromophenyl)-4-(cyclopentanecarbonyl)-3-methylpiperazin-2-one has a molecular weight of 365.27 g/mol, XLogP of 3.20, 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-(cyclopentanecarbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).