2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone

C17H25N3O — CID 61018808

IUPAC2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCc2ccccc2C1
InChIInChI=1S/C17H25N3O/c1-19(13-17(21)20-10-8-18-9-11-20)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,16,18H,6-13H2,1H3
InChIKeyZINPPMIBRCDYHG-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.91
Rot. Bonds3

About 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 61018808) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID61018808
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCc2ccccc2C1
InChIInChI=1S/C17H25N3O/c1-19(13-17(21)20-10-8-18-9-11-20)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,16,18H,6-13H2,1H3
InChIKeyZINPPMIBRCDYHG-UHFFFAOYSA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017757
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61442426
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62977907
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone (CID 61018808) is 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCc2ccccc2C1.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is ZINPPMIBRCDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(13-17(21)20-10-8-18-9-11-20)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,16,18H,6-13H2,1H3.
What are the key properties of 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).