methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride

C10H15ClN2O2S — CID 122236466

IUPACmethyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N2CCNCC2)s1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-2-3-9(15-8)12-6-4-11-5-7-12;/h2-3,11H,4-7H2,1H3;1H
InChIKeyKVSPSVPWYYWBRP-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.37
Rot. Bonds2

About methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride

methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride (PubChem CID 122236466) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride
PubChem CID122236466
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Namemethyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N2CCNCC2)s1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-2-3-9(15-8)12-6-4-11-5-7-12;/h2-3,11H,4-7H2,1H3;1H
InChIKeyKVSPSVPWYYWBRP-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-hexadecylamino-2-thiophenecarboxylate
CID 20503573
Ethyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 119025557
Ethyl 5-(cyclohexylamino)thiophene-2-carboxylate
CID 134304249
Methyl 3-fluoro-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 169820884
Methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
CID 172778613
Methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
Methyl 3-(methoxycarbonylamino)-5-piperidin-1-ylthiophene-2-carboxylate
CID 176429226
Methyl 5-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
CID 24555891
2,2,2-Trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
CID 24587007
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thiophene-2-carboxylic acid
CID 64365073
Methyl 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxylate
CID 103421858
Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 122236467

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride (CID 122236466) is methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride is COC(=O)c1ccc(N2CCNCC2)s1.Cl.
What is the InChIKey of methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride?
The InChIKey is KVSPSVPWYYWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-14-10(13)8-2-3-9(15-8)12-6-4-11-5-7-12;/h2-3,11H,4-7H2,1H3;1H.
What are the key properties of methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride?
methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperazin-1-ylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 122236466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).