3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one

C18H34N4O3 — CID 69368616

IUPAC3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one
SMILESCC(CC1(CC(C)N2CCOCC2)NCCNC1=O)N1CCOCC1
InChIInChI=1S/C18H34N4O3/c1-15(21-5-9-24-10-6-21)13-18(17(23)19-3-4-20-18)14-16(2)22-7-11-25-12-8-22/h15-16,20H,3-14H2,1-2H3,(H,19,23)
InChIKeySOZIJCCVHABFGU-UHFFFAOYSA-N
MW354.50 g/mol
LogP-0.33
Rot. Bonds6

About 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one

3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one (PubChem CID 69368616) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one
PubChem CID69368616
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one
SMILESCC(CC1(CC(C)N2CCOCC2)NCCNC1=O)N1CCOCC1
InChIInChI=1S/C18H34N4O3/c1-15(21-5-9-24-10-6-21)13-18(17(23)19-3-4-20-18)14-16(2)22-7-11-25-12-8-22/h15-16,20H,3-14H2,1-2H3,(H,19,23)
InChIKeySOZIJCCVHABFGU-UHFFFAOYSA-N
XLogP-0.33
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one?
The IUPAC name of 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one (CID 69368616) is 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one.
What is the SMILES notation for 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one?
The canonical SMILES for 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one is CC(CC1(CC(C)N2CCOCC2)NCCNC1=O)N1CCOCC1.
What is the InChIKey of 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one?
The InChIKey is SOZIJCCVHABFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-15(21-5-9-24-10-6-21)13-18(17(23)19-3-4-20-18)14-16(2)22-7-11-25-12-8-22/h15-16,20H,3-14H2,1-2H3,(H,19,23).
What are the key properties of 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one?
3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one has a molecular weight of 354.50 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-morpholin-4-ylpropyl)piperazin-2-one is sourced from PubChem (CID 69368616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).