1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

C20H36N4O3 — CID 55462061

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C20H36N4O3/c1-16-13-24(14-17(2)27-16)20(26)18(3)22-11-9-21(10-12-22)15-19(25)23-7-5-4-6-8-23/h16-18H,4-15H2,1-3H3
InChIKeyKGNHSAMNRNLMRE-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.64
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 55462061) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID55462061
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C20H36N4O3/c1-16-13-24(14-17(2)27-16)20(26)18(3)22-11-9-21(10-12-22)15-19(25)23-7-5-4-6-8-23/h16-18H,4-15H2,1-3H3
InChIKeyKGNHSAMNRNLMRE-UHFFFAOYSA-N
XLogP0.64
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one 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 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (CID 55462061) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is CC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is KGNHSAMNRNLMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-16-13-24(14-17(2)27-16)20(26)18(3)22-11-9-21(10-12-22)15-19(25)23-7-5-4-6-8-23/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 380.53 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55462061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).