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

C16H26N4O2S — CID 71522599

IUPAC[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-8-10-20(11-9-18)16(21)22-14-3-6-19(7-4-14)15-17-5-12-23-15/h5,12-14H,3-4,6-11H2,1-2H3
InChIKeyPUDRARFTTXAEEE-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.27
Rot. Bonds3

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

[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 71522599) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID71522599
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-8-10-20(11-9-18)16(21)22-14-3-6-19(7-4-14)15-17-5-12-23-15/h5,12-14H,3-4,6-11H2,1-2H3
InChIKeyPUDRARFTTXAEEE-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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Related Compounds

[1-(1,3-Thiazol-5-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487696
[1-(1,3-Thiazol-4-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487711
[1-(4-Methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487831
[1-(5-Methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487910
1-Piperidin-1-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 53521179
2,2-Dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 11992511
tert-butyl (1S,4S)-5-(1,3-thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 16747861
tert-Butyl 4-(thiazol-2-yl)piperazine-1-carboxylate
CID 21925505
Ethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 22122372
tert-butyl N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-(1,3-thiazol-2-yl)carbamate
CID 22321828
Tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-2-yl)amino]piperidine-1-carboxylate
CID 57855133
tert-butyl (1R,4R)-5-(1,3-thiazol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 58946432

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 71522599) is [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is PUDRARFTTXAEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(2)18-8-10-20(11-9-18)16(21)22-14-3-6-19(7-4-14)15-17-5-12-23-15/h5,12-14H,3-4,6-11H2,1-2H3.
What are the key properties of [1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(1,3-thiazol-2-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-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 71522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).