2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone

C18H26N2O2 — CID 120741617

IUPAC2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyKHHLLOPAEPAXLF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds6

About 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone

2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone (PubChem CID 120741617) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
PubChem CID120741617
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyKHHLLOPAEPAXLF-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone (CID 120741617) is 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone is CCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is KHHLLOPAEPAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15/h5-8,15,17,19H,2-4,9-13H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120741617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).