1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C16H32N4O — CID 80547764

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCCC(C)N1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-14(2)18-10-12-19(13-11-18)15(21)16(3,4)20-8-6-17-7-9-20/h14,17H,5-13H2,1-4H3
InChIKeyJNSUYAGWJLWXRO-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.61
Rot. Bonds4

About 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 80547764) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID80547764
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCCC(C)N1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-14(2)18-10-12-19(13-11-18)15(21)16(3,4)20-8-6-17-7-9-20/h14,17H,5-13H2,1-4H3
InChIKeyJNSUYAGWJLWXRO-UHFFFAOYSA-N
XLogP0.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
2-bromo-1-(4-butan-2-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 114328618
2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
CID 80547819
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 80547764) is 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CCC(C)N1CCN(C(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is JNSUYAGWJLWXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-14(2)18-10-12-19(13-11-18)15(21)16(3,4)20-8-6-17-7-9-20/h14,17H,5-13H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 296.46 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 80547764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).