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

C19H36N4O3 — CID 58135813

IUPAC3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(N2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-20-6-3-18(4-7-20)23-10-8-22(9-11-23)17-19(24)26-14-2-5-21-12-15-25-16-13-21/h18H,2-17H2,1H3
InChIKeyWCUPNHSPHYCFJO-UHFFFAOYSA-N
MW368.52 g/mol
LogP-0.04
Rot. Bonds7

About 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 58135813) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID58135813
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC Name3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(N2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-20-6-3-18(4-7-20)23-10-8-22(9-11-23)17-19(24)26-14-2-5-21-12-15-25-16-13-21/h18H,2-17H2,1H3
InChIKeyWCUPNHSPHYCFJO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (CID 58135813) is 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is CN1CCC(N2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is WCUPNHSPHYCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-20-6-3-18(4-7-20)23-10-8-22(9-11-23)17-19(24)26-14-2-5-21-12-15-25-16-13-21/h18H,2-17H2,1H3.
What are the key properties of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate 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 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 58135813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).