2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C19H25N3O2 — CID 56799660

IUPAC2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc2cc(CNCC(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C19H25N3O2/c1-21-7-9-22(10-8-21)19(23)14-20-13-15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-6,11-12,20H,7-10,13-14H2,1-2H3
InChIKeyJWVNYGXEKLLVKH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.71
Rot. Bonds5

About 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 56799660) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID56799660
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc2cc(CNCC(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C19H25N3O2/c1-21-7-9-22(10-8-21)19(23)14-20-13-15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-6,11-12,20H,7-10,13-14H2,1-2H3
InChIKeyJWVNYGXEKLLVKH-UHFFFAOYSA-N
XLogP1.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylamino]ethanone
CID 62316930
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
CID 108998529
N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
4-(dimethylsulfamoyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperazine-1-carboxamide
CID 33387816
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 56799660) is 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc2cc(CNCC(=O)N3CCN(C)CC3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JWVNYGXEKLLVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-7-9-22(10-8-21)19(23)14-20-13-15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-6,11-12,20H,7-10,13-14H2,1-2H3.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56799660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).