[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C19H32N6O3S — CID 89487685

IUPAC[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nnc(N4CCOCC4)s3)CC2)CC1
InChIInChI=1S/C19H32N6O3S/c1-15(2)22-7-9-25(10-8-22)19(26)28-16-3-5-23(6-4-16)17-20-21-18(29-17)24-11-13-27-14-12-24/h15-16H,3-14H2,1-2H3
InChIKeyXUIKAAURIAXJRW-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.51
Rot. Bonds4

About [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487685) has the molecular formula C19H32N6O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487685
Molecular FormulaC19H32N6O3S
Molecular Weight424.57 g/mol
Exact Mass424.23
IUPAC Name[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nnc(N4CCOCC4)s3)CC2)CC1
InChIInChI=1S/C19H32N6O3S/c1-15(2)22-7-9-25(10-8-22)19(26)28-16-3-5-23(6-4-16)17-20-21-18(29-17)24-11-13-27-14-12-24/h15-16H,3-14H2,1-2H3
InChIKeyXUIKAAURIAXJRW-UHFFFAOYSA-N
XLogP1.51
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487685) is [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3nnc(N4CCOCC4)s3)CC2)CC1.
What is the InChIKey of [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XUIKAAURIAXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3S/c1-15(2)22-7-9-25(10-8-22)19(26)28-16-3-5-23(6-4-16)17-20-21-18(29-17)24-11-13-27-14-12-24/h15-16H,3-14H2,1-2H3.
What are the key properties of [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 424.57 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).