1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one

C18H22N2O2 — CID 176932959

IUPAC1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc3ccccc3cc2OC)CC1
InChIInChI=1S/C18H22N2O2/c1-3-18(21)20-10-8-19(9-11-20)16-12-14-6-4-5-7-15(14)13-17(16)22-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyGLYPASLTNZWBMG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds3

About 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one

1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 176932959) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
PubChem CID176932959
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc3ccccc3cc2OC)CC1
InChIInChI=1S/C18H22N2O2/c1-3-18(21)20-10-8-19(9-11-20)16-12-14-6-4-5-7-15(14)13-17(16)22-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyGLYPASLTNZWBMG-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113080567
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one (CID 176932959) is 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc3ccccc3cc2OC)CC1.
What is the InChIKey of 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is GLYPASLTNZWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-18(21)20-10-8-19(9-11-20)16-12-14-6-4-5-7-15(14)13-17(16)22-2/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one?
1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 176932959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).