cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone

C18H26N2O — CID 120741701

IUPACcyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-14-7-9-15(10-8-14)17-13-19-11-12-20(17)18(21)16-5-3-4-6-16/h7-10,16-17,19H,2-6,11-13H2,1H3
InChIKeyRFOHYXXMWWRLPP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds3

About cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone

cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone (PubChem CID 120741701) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
PubChem CID120741701
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-14-7-9-15(10-8-14)17-13-19-11-12-20(17)18(21)16-5-3-4-6-16/h7-10,16-17,19H,2-6,11-13H2,1H3
InChIKeyRFOHYXXMWWRLPP-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone (CID 120741701) is cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone is CCc1ccc(C2CNCCN2C(=O)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone?
The InChIKey is RFOHYXXMWWRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-14-7-9-15(10-8-14)17-13-19-11-12-20(17)18(21)16-5-3-4-6-16/h7-10,16-17,19H,2-6,11-13H2,1H3.
What are the key properties of cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone?
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).