2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one

C16H31N3O — CID 119887481

IUPAC2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-4-6-15(7-5-13)18-8-10-19(11-9-18)16(20)14(2)12-17-3/h13-15,17H,4-12H2,1-3H3
InChIKeyIGMMWMSONCSLFK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one (PubChem CID 119887481) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
PubChem CID119887481
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-4-6-15(7-5-13)18-8-10-19(11-9-18)16(20)14(2)12-17-3/h13-15,17H,4-12H2,1-3H3
InChIKeyIGMMWMSONCSLFK-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202672
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 119708836
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
4-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887452
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one (CID 119887481) is 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one?
The InChIKey is IGMMWMSONCSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-4-6-15(7-5-13)18-8-10-19(11-9-18)16(20)14(2)12-17-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119887481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).