2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

C19H36N4O3 — CID 58135807

IUPAC2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-20-8-10-23(11-9-20)18-2-5-21(6-3-18)7-4-19(24)26-17-14-22-12-15-25-16-13-22/h18H,2-17H2,1H3
InChIKeyVSIGQRHPJOBTJB-UHFFFAOYSA-N
MW368.52 g/mol
LogP-0.04
Rot. Bonds7

About 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 58135807) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
PubChem CID58135807
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC Name2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-20-8-10-23(11-9-20)18-2-5-21(6-3-18)7-4-19(24)26-17-14-22-12-15-25-16-13-22/h18H,2-17H2,1H3
InChIKeyVSIGQRHPJOBTJB-UHFFFAOYSA-N
XLogP-0.04
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The IUPAC name of 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (CID 58135807) is 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is CN1CCN(C2CCN(CCC(=O)OCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The InChIKey is VSIGQRHPJOBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-20-8-10-23(11-9-20)18-2-5-21(6-3-18)7-4-19(24)26-17-14-22-12-15-25-16-13-22/h18H,2-17H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate has a molecular weight of 368.52 g/mol, XLogP of -0.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58135807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).