1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one

C25H46N4O2 — CID 90442248

IUPAC1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCCC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O2/c1-3-5-24(30)28-14-8-22(9-15-28)6-4-7-23-10-16-29(17-11-23)25(31)12-13-27-20-18-26(2)19-21-27/h22-23H,3-21H2,1-2H3
InChIKeyUKOJMGZGXDZBFG-UHFFFAOYSA-N
MW434.67 g/mol
LogP3.07
Rot. Bonds9

About 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one

1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one (PubChem CID 90442248) has the molecular formula C25H46N4O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
PubChem CID90442248
Molecular FormulaC25H46N4O2
Molecular Weight434.67 g/mol
Exact Mass434.36
IUPAC Name1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCCC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O2/c1-3-5-24(30)28-14-8-22(9-15-28)6-4-7-23-10-16-29(17-11-23)25(31)12-13-27-20-18-26(2)19-21-27/h22-23H,3-21H2,1-2H3
InChIKeyUKOJMGZGXDZBFG-UHFFFAOYSA-N
XLogP3.07
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]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-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one (CID 90442248) is 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CCCC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one?
The InChIKey is UKOJMGZGXDZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O2/c1-3-5-24(30)28-14-8-22(9-15-28)6-4-7-23-10-16-29(17-11-23)25(31)12-13-27-20-18-26(2)19-21-27/h22-23H,3-21H2,1-2H3.
What are the key properties of 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one?
1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one has a molecular weight of 434.67 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90442248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).