3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride

C12H20ClN3O2S — CID 119445747

IUPAC3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccsc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-17-10-2-9-18-11(10)12(16)14-5-8-15-6-3-13-4-7-15;/h2,9,13H,3-8H2,1H3,(H,14,16);1H
InChIKeyRCTHQBZQFHZMSF-UHFFFAOYSA-N
MW305.83 g/mol
LogP0.81
Rot. Bonds5

About 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride

3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119445747) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119445747
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccsc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-17-10-2-9-18-11(10)12(16)14-5-8-15-6-3-13-4-7-15;/h2,9,13H,3-8H2,1H3,(H,14,16);1H
InChIKeyRCTHQBZQFHZMSF-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811919
N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119448553
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119392093
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
2-[2-[(3-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121353
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 119445747) is 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride is COc1ccsc1C(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is RCTHQBZQFHZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-17-10-2-9-18-11(10)12(16)14-5-8-15-6-3-13-4-7-15;/h2,9,13H,3-8H2,1H3,(H,14,16);1H.
What are the key properties of 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride?
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119445747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).