1,3-bis(4-methylpiperazin-1-yl)propan-1-one

C13H26N4O — CID 110849737

IUPAC1,3-bis(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-5-9-16(10-6-14)4-3-13(18)17-11-7-15(2)8-12-17/h3-12H2,1-2H3
InChIKeyOPOPYTXQKRDCMU-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.60
Rot. Bonds3

About 1,3-bis(4-methylpiperazin-1-yl)propan-1-one

1,3-bis(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 110849737) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1,3-bis(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(4-methylpiperazin-1-yl)propan-1-one
PubChem CID110849737
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1,3-bis(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-5-9-16(10-6-14)4-3-13(18)17-11-7-15(2)8-12-17/h3-12H2,1-2H3
InChIKeyOPOPYTXQKRDCMU-UHFFFAOYSA-N
XLogP-0.60
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-bis(4-methylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1,3-bis(4-methylpiperazin-1-yl)propan-1-one (CID 110849737) is 1,3-bis(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1,3-bis(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1,3-bis(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1,3-bis(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is OPOPYTXQKRDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-14-5-9-16(10-6-14)4-3-13(18)17-11-7-15(2)8-12-17/h3-12H2,1-2H3.
What are the key properties of 1,3-bis(4-methylpiperazin-1-yl)propan-1-one?
1,3-bis(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 254.38 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110849737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).