1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one

C17H26N2O2 — CID 110293139

IUPAC1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1ccccc1C1CN(C(=O)CC(C)C)CCN1C
InChIInChI=1S/C17H26N2O2/c1-13(2)11-17(20)19-10-9-18(3)15(12-19)14-7-5-6-8-16(14)21-4/h5-8,13,15H,9-12H2,1-4H3
InChIKeyQLIGMAGEZWTOMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one (PubChem CID 110293139) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
PubChem CID110293139
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1ccccc1C1CN(C(=O)CC(C)C)CCN1C
InChIInChI=1S/C17H26N2O2/c1-13(2)11-17(20)19-10-9-18(3)15(12-19)14-7-5-6-8-16(14)21-4/h5-8,13,15H,9-12H2,1-4H3
InChIKeyQLIGMAGEZWTOMD-UHFFFAOYSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310525
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293369
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124998291
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one (CID 110293139) is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one is COc1ccccc1C1CN(C(=O)CC(C)C)CCN1C.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is QLIGMAGEZWTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)11-17(20)19-10-9-18(3)15(12-19)14-7-5-6-8-16(14)21-4/h5-8,13,15H,9-12H2,1-4H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one?
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110293139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).