1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone

C18H22N2O2 — CID 135293907

IUPAC1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(C)=O)CC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-14(21)20-11-9-19(10-12-20)13-15-7-8-18(22-2)17-6-4-3-5-16(15)17/h3-8H,9-13H2,1-2H3
InChIKeyJHXPLENRSPBAHO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 135293907) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
PubChem CID135293907
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(C)=O)CC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-14(21)20-11-9-19(10-12-20)13-15-7-8-18(22-2)17-6-4-3-5-16(15)17/h3-8H,9-13H2,1-2H3
InChIKeyJHXPLENRSPBAHO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1378287
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111
4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
CID 1126206

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone (CID 135293907) is 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone is COc1ccc(CN2CCN(C(C)=O)CC2)c2ccccc12.
What is the InChIKey of 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JHXPLENRSPBAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)20-11-9-19(10-12-20)13-15-7-8-18(22-2)17-6-4-3-5-16(15)17/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135293907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).