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

C19H34N4O3 — CID 55364710

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)O1
InChIInChI=1S/C19H34N4O3/c1-15-12-23(13-16(2)26-15)19(25)17(3)21-10-8-20(9-11-21)14-18(24)22-6-4-5-7-22/h15-17H,4-14H2,1-3H3
InChIKeyUOOSDMTWSDOLKI-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.25
Rot. Bonds4

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

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 55364710) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID55364710
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)O1
InChIInChI=1S/C19H34N4O3/c1-15-12-23(13-16(2)26-15)19(25)17(3)21-10-8-20(9-11-21)14-18(24)22-6-4-5-7-22/h15-17H,4-14H2,1-3H3
InChIKeyUOOSDMTWSDOLKI-UHFFFAOYSA-N
XLogP0.25
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one (CID 55364710) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-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-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one is CC1CN(C(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is UOOSDMTWSDOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-15-12-23(13-16(2)26-15)19(25)17(3)21-10-8-20(9-11-21)14-18(24)22-6-4-5-7-22/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 366.51 g/mol, XLogP of 0.25, 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-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55364710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).