1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one

C34H64N10O4 — CID 22086286

IUPAC1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1)CCN(C)CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C34H64N10O4/c1-35(9-5-31(45)41-23-27-43(28-24-41)33(47)7-11-39-19-15-37(3)16-20-39)13-14-36(2)10-6-32(46)42-25-29-44(30-26-42)34(48)8-12-40-21-17-38(4)18-22-40/h5-30H2,1-4H3
InChIKeyGMCDCJLPLAAMQB-UHFFFAOYSA-N
MW676.95 g/mol
LogP-1.75
Rot. Bonds15

About 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one

1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 22086286) has the molecular formula C34H64N10O4 and a molecular weight of 676.95 g/mol. Its IUPAC name is 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID22086286
Molecular FormulaC34H64N10O4
Molecular Weight676.95 g/mol
Exact Mass676.51
IUPAC Name1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1)CCN(C)CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C34H64N10O4/c1-35(9-5-31(45)41-23-27-43(28-24-41)33(47)7-11-39-19-15-37(3)16-20-39)13-14-36(2)10-6-32(46)42-25-29-44(30-26-42)34(48)8-12-40-21-17-38(4)18-22-40/h5-30H2,1-4H3
InChIKeyGMCDCJLPLAAMQB-UHFFFAOYSA-N
XLogP-1.75
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.95
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-(4-Methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 22086287
Ethane;3-(4-methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 157188147
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 157835393
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158906653
1-(4-Acetylpiperazin-1-yl)ethanone;1-(4-acetylpiperazin-1-yl)propane-1,2-dione;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone
CID 161621305

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one (CID 22086286) is 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one is CN(CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1)CCN(C)CCC(=O)N1CCN(C(=O)CCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is GMCDCJLPLAAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N10O4/c1-35(9-5-31(45)41-23-27-43(28-24-41)33(47)7-11-39-19-15-37(3)16-20-39)13-14-36(2)10-6-32(46)42-25-29-44(30-26-42)34(48)8-12-40-21-17-38(4)18-22-40/h5-30H2,1-4H3.
What are the key properties of 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 676.95 g/mol, XLogP of -1.75, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[methyl-[2-[methyl-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]amino]propanoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 22086286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).