2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone

C15H23N3O — CID 61018802

IUPAC2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
SMILESCC(c1ccccc1)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O/c1-13(14-6-4-3-5-7-14)17(2)12-15(19)18-10-8-16-9-11-18/h3-7,13,16H,8-12H2,1-2H3
InChIKeyXWWYUSXYSUNFSE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds4

About 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61018802) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
PubChem CID61018802
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
SMILESCC(c1ccccc1)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O/c1-13(14-6-4-3-5-7-14)17(2)12-15(19)18-10-8-16-9-11-18/h3-7,13,16H,8-12H2,1-2H3
InChIKeyXWWYUSXYSUNFSE-UHFFFAOYSA-N
XLogP1.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
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-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
1-[4-[(Z,2E)-2-ethylidene-1-(4-fluorophenyl)pent-3-enyl]piperazin-1-yl]-2-[methyl-[(1S)-1-phenylethyl]amino]ethanone
CID 59105260
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
CID 60500482
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
CID 119454684

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone (CID 61018802) is 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone is CC(c1ccccc1)N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is XWWYUSXYSUNFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(14-6-4-3-5-7-14)17(2)12-15(19)18-10-8-16-9-11-18/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 261.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).