2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate

C18H34N4O4 — CID 142196227

IUPAC2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
SMILESCC(CN1CCNCC1)C(=O)OCCOC(=O)C(C)CN1CCNCC1
InChIInChI=1S/C18H34N4O4/c1-15(13-21-7-3-19-4-8-21)17(23)25-11-12-26-18(24)16(2)14-22-9-5-20-6-10-22/h15-16,19-20H,3-14H2,1-2H3
InChIKeyXYUOXDKYOLEEBD-UHFFFAOYSA-N
MW370.49 g/mol
LogP-0.84
Rot. Bonds9

About 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate

2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate (PubChem CID 142196227) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate.

Molecular Properties

Compound Name2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
PubChem CID142196227
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
SMILESCC(CN1CCNCC1)C(=O)OCCOC(=O)C(C)CN1CCNCC1
InChIInChI=1S/C18H34N4O4/c1-15(13-21-7-3-19-4-8-21)17(23)25-11-12-26-18(24)16(2)14-22-9-5-20-6-10-22/h15-16,19-20H,3-14H2,1-2H3
InChIKeyXYUOXDKYOLEEBD-UHFFFAOYSA-N
XLogP-0.84
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
2-piperazin-1-ylethyl 2-iodopropanoate
CID 162508644
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
3-(1,4-diazepan-1-yl)-2-methylpropanethioamide
CID 82162730
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116924037
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
CID 177156065
methane;1-(2-methylpropyl)piperazine
CID 167537973
piperazin-1-ylmethyl propanoate
CID 151956933

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate?
The IUPAC name of 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate (CID 142196227) is 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate.
What is the SMILES notation for 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate?
The canonical SMILES for 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate is CC(CN1CCNCC1)C(=O)OCCOC(=O)C(C)CN1CCNCC1.
What is the InChIKey of 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate?
The InChIKey is XYUOXDKYOLEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-15(13-21-7-3-19-4-8-21)17(23)25-11-12-26-18(24)16(2)14-22-9-5-20-6-10-22/h15-16,19-20H,3-14H2,1-2H3.
What are the key properties of 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate?
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate has a molecular weight of 370.49 g/mol, XLogP of -0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate is sourced from PubChem (CID 142196227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).