1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one

C13H26N4O — CID 178104609

IUPAC1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14-4-6-15/h14H,2-12H2,1H3
InChIKeyVVIXQLKTBYDSLD-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.55
Rot. Bonds4

About 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one

1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 178104609) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID178104609
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14-4-6-15/h14H,2-12H2,1H3
InChIKeyVVIXQLKTBYDSLD-UHFFFAOYSA-N
XLogP-0.55
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
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
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one (CID 178104609) is 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCN2CCNCC2)CC1.
What is the InChIKey of 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is VVIXQLKTBYDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14-4-6-15/h14H,2-12H2,1H3.
What are the key properties of 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one?
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.38 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 178104609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).