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

C18H34N4O3 — CID 58135865

IUPAC2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(N2CCN(CC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-19-4-2-17(3-5-19)22-8-6-21(7-9-22)16-18(23)25-15-12-20-10-13-24-14-11-20/h17H,2-16H2,1H3
InChIKeyPWYBWTRYVRNSLX-UHFFFAOYSA-N
MW354.50 g/mol
LogP-0.43
Rot. Bonds6

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

2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 58135865) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID58135865
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(N2CCN(CC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-19-4-2-17(3-5-19)22-8-6-21(7-9-22)16-18(23)25-15-12-20-10-13-24-14-11-20/h17H,2-16H2,1H3
InChIKeyPWYBWTRYVRNSLX-UHFFFAOYSA-N
XLogP-0.43
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (CID 58135865) is 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is CN1CCC(N2CCN(CC(=O)OCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is PWYBWTRYVRNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-19-4-2-17(3-5-19)22-8-6-21(7-9-22)16-18(23)25-15-12-20-10-13-24-14-11-20/h17H,2-16H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
2-morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 354.50 g/mol, XLogP of -0.43, 6 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]acetate is sourced from PubChem (CID 58135865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).