methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride

C17H26ClNO4S — CID 24842628

IUPACmethyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(OC(=O)c2cccs2)CC(C)(C)N(C)C(C)(C)C1.Cl
InChIInChI=1S/C17H25NO4S.ClH/c1-15(2)10-17(14(20)21-6,11-16(3,4)18(15)5)22-13(19)12-8-7-9-23-12;/h7-9H,10-11H2,1-6H3;1H
InChIKeyAHZQQNIHDUQONH-UHFFFAOYSA-N
MW375.92 g/mol
LogP3.52
Rot. Bonds3

About methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride

methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride (PubChem CID 24842628) has the molecular formula C17H26ClNO4S and a molecular weight of 375.92 g/mol. Its IUPAC name is methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride
PubChem CID24842628
Molecular FormulaC17H26ClNO4S
Molecular Weight375.92 g/mol
Exact Mass375.13
IUPAC Namemethyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(OC(=O)c2cccs2)CC(C)(C)N(C)C(C)(C)C1.Cl
InChIInChI=1S/C17H25NO4S.ClH/c1-15(2)10-17(14(20)21-6,11-16(3,4)18(15)5)22-13(19)12-8-7-9-23-12;/h7-9H,10-11H2,1-6H3;1H
InChIKeyAHZQQNIHDUQONH-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride with MolForge

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Related Compounds

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
dimethyl 1,2-dicyano-3-(thiophene-2-carbonyl)cyclopropane-1,2-dicarboxylate
CID 110194732
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
CID 46226661
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
[1-[3-(dimethylamino)propyl]cyclododecyl] thiophene-2-carboxylate;hydrochloride
CID 163526952
thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate
CID 143396047
methyl (2S,4R,5R)-4-(hydroxymethyl)-1,2-dimethyl-5-thiophen-2-ylpyrrolidine-2-carboxylate
CID 51670917
methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 79857054
[3-[(4-butylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl] thiophene-2-carboxylate
CID 91070794

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride (CID 24842628) is methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride is COC(=O)C1(OC(=O)c2cccs2)CC(C)(C)N(C)C(C)(C)C1.Cl.
What is the InChIKey of methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride?
The InChIKey is AHZQQNIHDUQONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S.ClH/c1-15(2)10-17(14(20)21-6,11-16(3,4)18(15)5)22-13(19)12-8-7-9-23-12;/h7-9H,10-11H2,1-6H3;1H.
What are the key properties of methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride?
methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,2,6,6-pentamethyl-4-(thiophene-2-carbonyloxy)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 24842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).