3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate

C20H38N4O3 — CID 58136159

IUPAC3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCN1CCC(N2CCN(CCC(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3/c1-21-7-3-19(4-8-21)24-12-10-23(11-13-24)9-5-20(25)27-16-2-6-22-14-17-26-18-15-22/h19H,2-18H2,1H3
InChIKeyCJTSQEMOMBIYRJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.35
Rot. Bonds8

About 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate

3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (PubChem CID 58136159) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
PubChem CID58136159
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCN1CCC(N2CCN(CCC(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3/c1-21-7-3-19(4-8-21)24-12-10-23(11-13-24)9-5-20(25)27-16-2-6-22-14-17-26-18-15-22/h19H,2-18H2,1H3
InChIKeyCJTSQEMOMBIYRJ-UHFFFAOYSA-N
XLogP0.35
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 58135814
2-morpholin-4-ylethyl 2-[3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 58135857
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
3-(4-methylpiperazin-1-yl)propyl propanoate
CID 70867774
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
3-hydroxypropyl 3-(aziridin-1-yl)propanoate
CID 20582016
methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
CID 61441517

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The IUPAC name of 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (CID 58136159) is 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The canonical SMILES for 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is CN1CCC(N2CCN(CCC(=O)OCCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The InChIKey is CJTSQEMOMBIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-21-7-3-19(4-8-21)24-12-10-23(11-13-24)9-5-20(25)27-16-2-6-22-14-17-26-18-15-22/h19H,2-18H2,1H3.
What are the key properties of 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate has a molecular weight of 382.55 g/mol, XLogP of 0.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 58136159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).