1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone

C18H26N2O — CID 110708909

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-15-6-2-3-7-16(15)14-18(21)20-12-10-19(11-13-20)17-8-4-5-9-17/h2-3,6-7,17H,4-5,8-14H2,1H3
InChIKeyQUUCPABRFFRLAM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 110708909) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID110708909
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-15-6-2-3-7-16(15)14-18(21)20-12-10-19(11-13-20)17-8-4-5-9-17/h2-3,6-7,17H,4-5,8-14H2,1H3
InChIKeyQUUCPABRFFRLAM-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone (CID 110708909) is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is QUUCPABRFFRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-6-2-3-7-16(15)14-18(21)20-12-10-19(11-13-20)17-8-4-5-9-17/h2-3,6-7,17H,4-5,8-14H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 110708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).