1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone

C17H20N2O — CID 82263116

IUPAC1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
SMILESCc1ccc2ccccc2c1C(=O)CN1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13-6-7-14-4-2-3-5-15(14)17(13)16(20)12-19-10-8-18-9-11-19/h2-7,18H,8-12H2,1H3
InChIKeyZEOVHNMYEOONSA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone

1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone (PubChem CID 82263116) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
PubChem CID82263116
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
SMILESCc1ccc2ccccc2c1C(=O)CN1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13-6-7-14-4-2-3-5-15(14)17(13)16(20)12-19-10-8-18-9-11-19/h2-7,18H,8-12H2,1H3
InChIKeyZEOVHNMYEOONSA-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
2-(1,4-diazepan-1-yl)-1-isoquinolin-4-ylethanone
CID 116565512
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
CID 81428930
1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82050994
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
methyl 4-(2-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82550346
2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone (CID 82263116) is 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone is Cc1ccc2ccccc2c1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is ZEOVHNMYEOONSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-6-7-14-4-2-3-5-15(14)17(13)16(20)12-19-10-8-18-9-11-19/h2-7,18H,8-12H2,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone?
1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82263116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).