1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one

C14H27N3O — CID 54447693

IUPAC1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-4-14(18)17-7-5-13(6-8-17)16-11-9-15(2)10-12-16/h13H,3-12H2,1-2H3
InChIKeyWSRYNPALIIOPSP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.02
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one

1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 54447693) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
PubChem CID54447693
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-4-14(18)17-7-5-13(6-8-17)16-11-9-15(2)10-12-16/h13H,3-12H2,1-2H3
InChIKeyWSRYNPALIIOPSP-UHFFFAOYSA-N
XLogP1.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-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-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one (CID 54447693) is 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is WSRYNPALIIOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-4-14(18)17-7-5-13(6-8-17)16-11-9-15(2)10-12-16/h13H,3-12H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 54447693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).