1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone

C17H26N2O2 — CID 62777262

IUPAC1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-17(20)15-4-6-16(21-3)7-5-15/h4-7,14H,8-13H2,1-3H3
InChIKeyOAOGGTRCSUVBMC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone

1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 62777262) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID62777262
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-17(20)15-4-6-16(21-3)7-5-15/h4-7,14H,8-13H2,1-3H3
InChIKeyOAOGGTRCSUVBMC-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide
CID 110611252
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 62777262) is 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is OAOGGTRCSUVBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-17(20)15-4-6-16(21-3)7-5-15/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62777262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).