1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone

C20H30N2O2 — CID 10830296

IUPAC1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
SMILESCOc1cccc2c1CCCC2CCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C20H30N2O2/c1-16(23)22-14-12-21(13-15-22)11-5-7-17-6-3-9-19-18(17)8-4-10-20(19)24-2/h4,8,10,17H,3,5-7,9,11-15H2,1-2H3
InChIKeyOBFHAKGNVLPNIU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone

1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 10830296) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
PubChem CID10830296
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
SMILESCOc1cccc2c1CCCC2CCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C20H30N2O2/c1-16(23)22-14-12-21(13-15-22)11-5-7-17-6-3-9-19-18(17)8-4-10-20(19)24-2/h4,8,10,17H,3,5-7,9,11-15H2,1-2H3
InChIKeyOBFHAKGNVLPNIU-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
CID 11281378
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
CID 11591218
3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
CID 44598774
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one
CID 118720488
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone (CID 10830296) is 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone is COc1cccc2c1CCCC2CCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is OBFHAKGNVLPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(23)22-14-12-21(13-15-22)11-5-7-17-6-3-9-19-18(17)8-4-10-20(19)24-2/h4,8,10,17H,3,5-7,9,11-15H2,1-2H3.
What are the key properties of 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone?
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10830296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).