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

C24H26N2O2 — CID 1378287

IUPAC1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H26N2O2/c1-18(27)19-7-10-21(11-8-19)26-15-13-25(14-16-26)17-20-9-12-24(28-2)23-6-4-3-5-22(20)23/h3-12H,13-17H2,1-2H3
InChIKeyGPSBIITVFBOJSI-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.37
Rot. Bonds5

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

1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 1378287) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID1378287
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H26N2O2/c1-18(27)19-7-10-21(11-8-19)26-15-13-25(14-16-26)17-20-9-12-24(28-2)23-6-4-3-5-22(20)23/h3-12H,13-17H2,1-2H3
InChIKeyGPSBIITVFBOJSI-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222
1-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 2843183
1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8704243
1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 8590975
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone (CID 1378287) is 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone is COc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is GPSBIITVFBOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(27)19-7-10-21(11-8-19)26-15-13-25(14-16-26)17-20-9-12-24(28-2)23-6-4-3-5-22(20)23/h3-12H,13-17H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 1378287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).