2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone

C17H27N3O — CID 61017886

IUPAC2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1ccc(C(C)N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)14(2)19(3)13-17(21)20-11-9-18-10-12-20/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyRBYSTWDSTIGBNO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.67
Rot. Bonds5

About 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone

2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 61017886) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID61017886
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1ccc(C(C)N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)14(2)19(3)13-17(21)20-11-9-18-10-12-20/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyRBYSTWDSTIGBNO-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
4-[1-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 61018016
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980681
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone (CID 61017886) is 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone is CCc1ccc(C(C)N(C)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is RBYSTWDSTIGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)14(2)19(3)13-17(21)20-11-9-18-10-12-20/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 289.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).