(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone

C16H20Br2N2O — CID 103882393

IUPAC(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)11-12)16(21)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyHARXKLPLGVVTCI-UHFFFAOYSA-N
MW416.16 g/mol
LogP3.91
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone (PubChem CID 103882393) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
PubChem CID103882393
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)11-12)16(21)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyHARXKLPLGVVTCI-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 103882570
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(2,4-dibromophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103882887
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584860
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone (CID 103882393) is (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone is O=C(c1ccc(Br)cc1Br)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone?
The InChIKey is HARXKLPLGVVTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)11-12)16(21)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone has a molecular weight of 416.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 103882393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).