4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine

C13H22N4OS — CID 129320603

IUPAC4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)s1
InChIInChI=1S/C13H22N4OS/c1-11-14-15-13(19-11)17-4-2-3-12(10-17)9-16-5-7-18-8-6-16/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyVLIOGCJFJUIZAT-GFCCVEGCSA-N
MW282.41 g/mol
LogP1.40
Rot. Bonds3

About 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine

4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 129320603) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine
PubChem CID129320603
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)s1
InChIInChI=1S/C13H22N4OS/c1-11-14-15-13(19-11)17-4-2-3-12(10-17)9-16-5-7-18-8-6-16/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyVLIOGCJFJUIZAT-GFCCVEGCSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine (CID 129320603) is 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine is Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)s1.
What is the InChIKey of 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is VLIOGCJFJUIZAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-11-14-15-13(19-11)17-4-2-3-12(10-17)9-16-5-7-18-8-6-16/h12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine?
4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 282.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 129320603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).