2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate

C18H32N4O4 — CID 58135847

IUPAC2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
SMILESCN1CCC(N2CCN(C(=O)C(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O4/c1-19-4-2-16(3-5-19)21-6-8-22(9-7-21)17(23)18(24)26-15-12-20-10-13-25-14-11-20/h16H,2-15H2,1H3
InChIKeyQOPSLHDQTVRYJK-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.90
Rot. Bonds4

About 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate

2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate (PubChem CID 58135847) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
PubChem CID58135847
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
SMILESCN1CCC(N2CCN(C(=O)C(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O4/c1-19-4-2-16(3-5-19)21-6-8-22(9-7-21)17(23)18(24)26-15-12-20-10-13-25-14-11-20/h16H,2-15H2,1H3
InChIKeyQOPSLHDQTVRYJK-UHFFFAOYSA-N
XLogP-0.90
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate (CID 58135847) is 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate is CN1CCC(N2CCN(C(=O)C(=O)OCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The InChIKey is QOPSLHDQTVRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-19-4-2-16(3-5-19)21-6-8-22(9-7-21)17(23)18(24)26-15-12-20-10-13-25-14-11-20/h16H,2-15H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate has a molecular weight of 368.48 g/mol, XLogP of -0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate is sourced from PubChem (CID 58135847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).