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

C17H28N4O2S — CID 89487910

IUPAC[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1
InChIInChI=1S/C17H28N4O2S/c1-13(2)19-8-10-21(11-9-19)17(22)23-15-4-6-20(7-5-15)16-18-12-14(3)24-16/h12-13,15H,4-11H2,1-3H3
InChIKeyYQZIOZGTUYUPIU-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.58
Rot. Bonds3

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

[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487910) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487910
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1
InChIInChI=1S/C17H28N4O2S/c1-13(2)19-8-10-21(11-9-19)17(22)23-15-4-6-20(7-5-15)16-18-12-14(3)24-16/h12-13,15H,4-11H2,1-3H3
InChIKeyYQZIOZGTUYUPIU-UHFFFAOYSA-N
XLogP2.58
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487910) is [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1.
What is the InChIKey of [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is YQZIOZGTUYUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(2)19-8-10-21(11-9-19)17(22)23-15-4-6-20(7-5-15)16-18-12-14(3)24-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 352.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).