2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

C14H21N3O2 — CID 54909269

IUPAC2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNc1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-15-12-3-5-13(6-4-12)19-11-14(18)17-9-7-16(2)8-10-17/h3-6,15H,7-11H2,1-2H3
InChIKeyMARJGSYJICKFPF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 54909269) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID54909269
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNc1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-15-12-3-5-13(6-4-12)19-11-14(18)17-9-7-16(2)8-10-17/h3-6,15H,7-11H2,1-2H3
InChIKeyMARJGSYJICKFPF-UHFFFAOYSA-N
XLogP0.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-propoxyphenoxy)ethanone
CID 112791371
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 79782287
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
N-[4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62029121
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 54909269) is 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is CNc1ccc(OCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MARJGSYJICKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-12-3-5-13(6-4-12)19-11-14(18)17-9-7-16(2)8-10-17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 54909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).