1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

C17H20N2O2 — CID 1105285

IUPAC1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-18-8-10-19(11-9-18)17(20)13-21-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyOYRARFNPRHZNKI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 1105285) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID1105285
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-18-8-10-19(11-9-18)17(20)13-21-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyOYRARFNPRHZNKI-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Napropamide
CID 27189
Simetride
CID 71622
Napropamide-M
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4-Morpholineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071637
N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2226306
N-Ethyl-2-[(naphthalen-1-yl)oxy]propanamide
CID 17650443
2-(Biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 2911244
1-[4-(4-Ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
CID 137349228
Ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
CID 773942
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 798572
N-benzyl-N-methyl-2-(2-naphthyloxy)acetamide
CID 833263
2-[2-(3-Methylphenoxy)propanoyl]-1,2,3,4-tetrahydroisoquinoline
CID 2977115

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (CID 1105285) is 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is OYRARFNPRHZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-8-10-19(11-9-18)17(20)13-21-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 284.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 1105285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).