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

C16H24N2O2 — CID 110293250

IUPAC1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C)C(c2cccc(OC)c2)C1
InChIInChI=1S/C16H24N2O2/c1-4-6-16(19)18-10-9-17(2)15(12-18)13-7-5-8-14(11-13)20-3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3
InChIKeyBCZMNLLEXGKFEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds4

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

1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one (PubChem CID 110293250) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
PubChem CID110293250
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C)C(c2cccc(OC)c2)C1
InChIInChI=1S/C16H24N2O2/c1-4-6-16(19)18-10-9-17(2)15(12-18)13-7-5-8-14(11-13)20-3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3
InChIKeyBCZMNLLEXGKFEM-UHFFFAOYSA-N
XLogP2.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110310567
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110310564
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310562
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110631994
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one (CID 110293250) is 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C)C(c2cccc(OC)c2)C1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The InChIKey is BCZMNLLEXGKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-6-16(19)18-10-9-17(2)15(12-18)13-7-5-8-14(11-13)20-3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3.
What are the key properties of 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 110293250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).