5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one

C22H31BrN2O2 — CID 55761330

IUPAC5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccc(Br)cc1)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C22H31BrN2O2/c23-20-11-9-18(10-12-20)5-3-4-8-21(26)24-13-15-25(16-14-24)22(27)17-19-6-1-2-7-19/h9-12,19H,1-8,13-17H2
InChIKeyVIMMFJIDBIQFPT-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.41
Rot. Bonds7

About 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one

5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one (PubChem CID 55761330) has the molecular formula C22H31BrN2O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
PubChem CID55761330
Molecular FormulaC22H31BrN2O2
Molecular Weight435.41 g/mol
Exact Mass434.16
IUPAC Name5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccc(Br)cc1)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C22H31BrN2O2/c23-20-11-9-18(10-12-20)5-3-4-8-21(26)24-13-15-25(16-14-24)22(27)17-19-6-1-2-7-19/h9-12,19H,1-8,13-17H2
InChIKeyVIMMFJIDBIQFPT-UHFFFAOYSA-N
XLogP4.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
CID 55761211
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 60602172
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774407
(3R)-1-[5-(4-bromophenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124700041
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55566908
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55566906
5-(4-bromophenyl)-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 55975598
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
(2S)-4-[5-(4-bromophenyl)pentanoyl]morpholine-2-carboxylic acid
CID 124700538
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(4-bromophenyl)pentan-1-one
CID 124691223
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one (CID 55761330) is 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one is O=C(CCCCc1ccc(Br)cc1)N1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one?
The InChIKey is VIMMFJIDBIQFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31BrN2O2/c23-20-11-9-18(10-12-20)5-3-4-8-21(26)24-13-15-25(16-14-24)22(27)17-19-6-1-2-7-19/h9-12,19H,1-8,13-17H2.
What are the key properties of 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one?
5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one has a molecular weight of 435.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 55761330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).