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

C18H28N4O4S — CID 71522824

IUPACmethyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1
InChIInChI=1S/C18H28N4O4S/c1-13(2)20-8-10-22(11-9-20)18(24)26-14-4-6-21(7-5-14)17-19-12-15(27-17)16(23)25-3/h12-14H,4-11H2,1-3H3
InChIKeyYMGNLVVZIRWHGP-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.06
Rot. Bonds4

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

methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 71522824) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID71522824
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Namemethyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1
InChIInChI=1S/C18H28N4O4S/c1-13(2)20-8-10-22(11-9-20)18(24)26-14-4-6-21(7-5-14)17-19-12-15(27-17)16(23)25-3/h12-14H,4-11H2,1-3H3
InChIKeyYMGNLVVZIRWHGP-UHFFFAOYSA-N
XLogP2.06
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

Methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522825
[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
Ethyl 2-[4-(3-sulfanylpropanoyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 177680955
methyl 2-[(2S)-4-[3-(difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774353
Methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate
CID 11451404
2-(4-Methyl-piperazin-1-yl)-thiazole-5-carboxylic acid methyl ester
CID 57425505
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
Ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-1-yl]-1,3-thiazole-5-carboxylate
CID 59679277
Methyl 2-{4-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-1,3-thiazole-5-carboxylate
CID 59679281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 71522824) is methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1.
What is the InChIKey of methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is YMGNLVVZIRWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-13(2)20-8-10-22(11-9-20)18(24)26-14-4-6-21(7-5-14)17-19-12-15(27-17)16(23)25-3/h12-14H,4-11H2,1-3H3.
What are the key properties of methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 2.06, 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-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71522824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).