methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

C19H28N4O4S — CID 71522825

IUPACmethyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C19H28N4O4S/c1-26-17(24)16-13-20-18(28-16)22-7-5-15(6-8-22)27-19(25)23-11-9-21(10-12-23)14-3-2-4-14/h13-15H,2-12H2,1H3
InChIKeyUFTNAXNUWXXCFQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 71522825) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID71522825
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Namemethyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C19H28N4O4S/c1-26-17(24)16-13-20-18(28-16)22-7-5-15(6-8-22)27-19(25)23-11-9-21(10-12-23)14-3-2-4-14/h13-15H,2-12H2,1H3
InChIKeyUFTNAXNUWXXCFQ-UHFFFAOYSA-N
XLogP2.21
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522824
[1-[5-(Hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487588
[1-(5-Methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487910
[1-(5-Carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487944
methyl 2-[(2S)-4-[3-(difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774353
Tert-butyl 4-(5-ethoxycarbonylthiazol-2-yl)piperazine-1-carboxylate
CID 58539915
Methyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 59679268
Methyl 2-{4-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-1,3-thiazole-5-carboxylate
CID 59679281
1,1-Dimethylethyl 4-[5-(methoxycarbonyl)-2-thiazolyl]-1-piperazinecarboxylate
CID 60032149
Methyl 2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 60114352
Ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 67001388
Ethyl 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 67001403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 71522825) is methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1.
What is the InChIKey of methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is UFTNAXNUWXXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-26-17(24)16-13-20-18(28-16)22-7-5-15(6-8-22)27-19(25)23-11-9-21(10-12-23)14-3-2-4-14/h13-15H,2-12H2,1H3.
What are the key properties of methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71522825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).