[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C16H26N4O2S — CID 89487711

IUPAC[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cscn3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-7-9-20(10-8-18)16(21)22-14-3-5-19(6-4-14)15-11-23-12-17-15/h11-14H,3-10H2,1-2H3
InChIKeyJVOIXRHHKRZMFR-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.27
Rot. Bonds3

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

[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487711) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487711
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cscn3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-7-9-20(10-8-18)16(21)22-14-3-5-19(6-4-14)15-11-23-12-17-15/h11-14H,3-10H2,1-2H3
InChIKeyJVOIXRHHKRZMFR-UHFFFAOYSA-N
XLogP2.27
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487711) is [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3cscn3)CC2)CC1.
What is the InChIKey of [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is JVOIXRHHKRZMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(2)18-7-9-20(10-8-18)16(21)22-14-3-5-19(6-4-14)15-11-23-12-17-15/h11-14H,3-10H2,1-2H3.
What are the key properties of [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 338.48 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).