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

C17H25N3O — CID 61017757

IUPAC2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19(13-17(21)20-11-9-18-10-12-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,16,18H,4,6,8-13H2,1H3
InChIKeyJLBKXNJLFLSCLG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.43
Rot. Bonds3

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

2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 61017757) 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-1-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
PubChem CID61017757
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19(13-17(21)20-11-9-18-10-12-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,16,18H,4,6,8-13H2,1H3
InChIKeyJLBKXNJLFLSCLG-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8552435
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
CID 61018808
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26508107
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 134052196
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanone
CID 8680930
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone (CID 61017757) is 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCCc2ccccc21.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is JLBKXNJLFLSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(13-17(21)20-11-9-18-10-12-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,16,18H,4,6,8-13H2,1H3.
What are the key properties of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.43, 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-1-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).