1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one

C20H30N2O — CID 827253

IUPAC1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
SMILESCN1CCN(CCCC(=O)c2ccc(C3CCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17/h8-11,17H,2-7,12-16H2,1H3
InChIKeySYKLCRHFGLITIY-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one

1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one (PubChem CID 827253) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
PubChem CID827253
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
SMILESCN1CCN(CCCC(=O)c2ccc(C3CCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17/h8-11,17H,2-7,12-16H2,1H3
InChIKeySYKLCRHFGLITIY-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
CID 101453044
bis((Z)-but-2-enedioate);1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 20838508
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
CID 117368627
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(3-methyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-yl)butan-1-one
CID 142096955
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 21108056
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
CID 110398502
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one (CID 827253) is 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one is CN1CCN(CCCC(=O)c2ccc(C3CCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is SYKLCRHFGLITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-21-13-15-22(16-14-21)12-4-7-20(23)19-10-8-18(9-11-19)17-5-2-3-6-17/h8-11,17H,2-7,12-16H2,1H3.
What are the key properties of 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one?
1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 827253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).