2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one

C17H25N3O — CID 82263601

IUPAC2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C17H25N3O/c1-13(12-20-9-7-18-8-10-20)17(21)15-5-4-14-3-2-6-19-16(14)11-15/h4-5,11,13,18-19H,2-3,6-10,12H2,1H3
InChIKeyJAHFOMKYUHLCLK-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one

2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one (PubChem CID 82263601) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
PubChem CID82263601
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C17H25N3O/c1-13(12-20-9-7-18-8-10-20)17(21)15-5-4-14-3-2-6-19-16(14)11-15/h4-5,11,13,18-19H,2-3,6-10,12H2,1H3
InChIKeyJAHFOMKYUHLCLK-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one with MolForge

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Related Compounds

2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
CID 82263492
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
8-(2-methylpentanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525386
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
CID 82263629
3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467
piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 162440782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The IUPAC name of 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one (CID 82263601) is 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one is CC(CN1CCNCC1)C(=O)c1ccc2c(c1)NCCC2.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
The InChIKey is JAHFOMKYUHLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(12-20-9-7-18-8-10-20)17(21)15-5-4-14-3-2-6-19-16(14)11-15/h4-5,11,13,18-19H,2-3,6-10,12H2,1H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one?
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one is sourced from PubChem (CID 82263601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).