1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one

C16H32N4O — CID 138531752

IUPAC1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-15(21)19-10-8-18(9-11-19)14-16(2,3)20-12-6-17(4)7-13-20/h5-14H2,1-4H3
InChIKeyFAYHQOBZVLJUOV-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.57
Rot. Bonds4

About 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one

1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one (PubChem CID 138531752) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one
PubChem CID138531752
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-15(21)19-10-8-18(9-11-19)14-16(2,3)20-12-6-17(4)7-13-20/h5-14H2,1-4H3
InChIKeyFAYHQOBZVLJUOV-UHFFFAOYSA-N
XLogP0.57
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-methyl-1-[4-[2-methyl-2-(4-propyl-1,4-diazepan-1-yl)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 166925871
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 111113460
1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine
CID 167474728

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one (CID 138531752) is 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC(C)(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The InChIKey is FAYHQOBZVLJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-15(21)19-10-8-18(9-11-19)14-16(2,3)20-12-6-17(4)7-13-20/h5-14H2,1-4H3.
What are the key properties of 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one?
1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one has a molecular weight of 296.46 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 138531752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).