1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

C14H28N4O — CID 63608644

IUPAC1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCNCC2)CC1(C)C
InChIInChI=1S/C14H28N4O/c1-14(2)12-17(11-10-16(14)3)7-4-13(19)18-8-5-15-6-9-18/h15H,4-12H2,1-3H3
InChIKeyFUYJYWOWKXALGV-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.17
Rot. Bonds3

About 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 63608644) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
PubChem CID63608644
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCNCC2)CC1(C)C
InChIInChI=1S/C14H28N4O/c1-14(2)12-17(11-10-16(14)3)7-4-13(19)18-8-5-15-6-9-18/h15H,4-12H2,1-3H3
InChIKeyFUYJYWOWKXALGV-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (CID 63608644) is 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)N2CCNCC2)CC1(C)C.
What is the InChIKey of 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is FUYJYWOWKXALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2)12-17(11-10-16(14)3)7-4-13(19)18-8-5-15-6-9-18/h15H,4-12H2,1-3H3.
What are the key properties of 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63608644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).