ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate

C16H26N4O2S — CID 75519126

IUPACethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-2-22-16(21)20-10-5-14(6-11-20)18-13-3-8-19(9-4-13)15-17-7-12-23-15/h7,12-14,18H,2-6,8-11H2,1H3
InChIKeyZUUSLYQBNJXJQG-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.32
Rot. Bonds4

About ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 75519126) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID75519126
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Nameethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-2-22-16(21)20-10-5-14(6-11-20)18-13-3-8-19(9-4-13)15-17-7-12-23-15/h7,12-14,18H,2-6,8-11H2,1H3
InChIKeyZUUSLYQBNJXJQG-UHFFFAOYSA-N
XLogP2.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
CID 75516708

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate (CID 75519126) is ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is ZUUSLYQBNJXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-22-16(21)20-10-5-14(6-11-20)18-13-3-8-19(9-4-13)15-17-7-12-23-15/h7,12-14,18H,2-6,8-11H2,1H3.
What are the key properties of ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 338.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 75519126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).