4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

C16H31N5O2 — CID 163158645

IUPAC4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESCN1CCCC1C1NC(C2CCC(N3CCOCC3)NC2)NO1
InChIInChI=1S/C16H31N5O2/c1-20-6-2-3-13(20)16-18-15(19-23-16)12-4-5-14(17-11-12)21-7-9-22-10-8-21/h12-19H,2-11H2,1H3
InChIKeyQPUKXIAMYHBNRG-UHFFFAOYSA-N
MW325.46 g/mol
LogP-0.48
Rot. Bonds3

About 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (PubChem CID 163158645) has the molecular formula C16H31N5O2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
PubChem CID163158645
Molecular FormulaC16H31N5O2
Molecular Weight325.46 g/mol
Exact Mass325.25
IUPAC Name4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESCN1CCCC1C1NC(C2CCC(N3CCOCC3)NC2)NO1
InChIInChI=1S/C16H31N5O2/c1-20-6-2-3-13(20)16-18-15(19-23-16)12-4-5-14(17-11-12)21-7-9-22-10-8-21/h12-19H,2-11H2,1H3
InChIKeyQPUKXIAMYHBNRG-UHFFFAOYSA-N
XLogP-0.48
TPSA61.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (CID 163158645) is 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is CN1CCCC1C1NC(C2CCC(N3CCOCC3)NC2)NO1.
What is the InChIKey of 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The InChIKey is QPUKXIAMYHBNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O2/c1-20-6-2-3-13(20)16-18-15(19-23-16)12-4-5-14(17-11-12)21-7-9-22-10-8-21/h12-19H,2-11H2,1H3.
What are the key properties of 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine has a molecular weight of 325.46 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 163158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).