1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

C20H26N2O2 — CID 120571671

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)N3CCNC(C)C3C)ccc2c1
InChIInChI=1S/C20H26N2O2/c1-13(20(23)22-10-9-21-14(2)15(22)3)16-5-6-18-12-19(24-4)8-7-17(18)11-16/h5-8,11-15,21H,9-10H2,1-4H3
InChIKeyHFLCJVNUSWWFIN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 120571671) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID120571671
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)N3CCNC(C)C3C)ccc2c1
InChIInChI=1S/C20H26N2O2/c1-13(20(23)22-10-9-21-14(2)15(22)3)16-5-6-18-12-19(24-4)8-7-17(18)11-16/h5-8,11-15,21H,9-10H2,1-4H3
InChIKeyHFLCJVNUSWWFIN-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
(2S)-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 165425780
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 21431522
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one
CID 11045119
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
(2,3-dimethylpiperazin-1-yl)-(5-methoxy-3-methyl-1-benzothiophen-2-yl)methanone
CID 120570048
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (CID 120571671) is 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc(C(C)C(=O)N3CCNC(C)C3C)ccc2c1.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is HFLCJVNUSWWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(20(23)22-10-9-21-14(2)15(22)3)16-5-6-18-12-19(24-4)8-7-17(18)11-16/h5-8,11-15,21H,9-10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 120571671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).