5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

C12H18BrClN2O2S — CID 120557472

IUPAC5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNCC2C)sc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-7-6-14-4-3-8(7)15-12(16)10-5-9(17-2)11(13)18-10;/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1H
InChIKeyXRDGCQZQXLDSFU-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.67
Rot. Bonds3

About 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120557472) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120557472
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNCC2C)sc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-7-6-14-4-3-8(7)15-12(16)10-5-9(17-2)11(13)18-10;/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1H
InChIKeyXRDGCQZQXLDSFU-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120555972
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
5-ethyl-4-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120553990
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (CID 120557472) is 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is COc1cc(C(=O)NC2CCNCC2C)sc1Br.Cl.
What is the InChIKey of 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is XRDGCQZQXLDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-7-6-14-4-3-8(7)15-12(16)10-5-9(17-2)11(13)18-10;/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1H.
What are the key properties of 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120557472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).