5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine

C16H30N4O2 — CID 166868563

IUPAC5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine
SMILESC1CNC(C2CC(C3CNC(C4COCCN4)CO3)CN2)C1
InChIInChI=1S/C16H30N4O2/c1-2-12(17-3-1)13-6-11(7-19-13)16-8-20-15(10-22-16)14-9-21-5-4-18-14/h11-20H,1-10H2
InChIKeyHSHHYPBQAKEVBT-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.94
Rot. Bonds3

About 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine

5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine (PubChem CID 166868563) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Name5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine
PubChem CID166868563
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine
SMILESC1CNC(C2CC(C3CNC(C4COCCN4)CO3)CN2)C1
InChIInChI=1S/C16H30N4O2/c1-2-12(17-3-1)13-6-11(7-19-13)16-8-20-15(10-22-16)14-9-21-5-4-18-14/h11-20H,1-10H2
InChIKeyHSHHYPBQAKEVBT-UHFFFAOYSA-N
XLogP-0.94
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine?
The IUPAC name of 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine (CID 166868563) is 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine?
The canonical SMILES for 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine is C1CNC(C2CC(C3CNC(C4COCCN4)CO3)CN2)C1.
What is the InChIKey of 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine?
The InChIKey is HSHHYPBQAKEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-2-12(17-3-1)13-6-11(7-19-13)16-8-20-15(10-22-16)14-9-21-5-4-18-14/h11-20H,1-10H2.
What are the key properties of 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine?
5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine has a molecular weight of 310.44 g/mol, XLogP of -0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-3-yl-2-(5-pyrrolidin-2-ylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 166868563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).