2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride

C11H15Cl3N2OS — CID 119461858

IUPAC2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-4-8(10(13)17-9)11(16)15-6-7-2-1-3-14-5-7;/h4,7,14H,1-3,5-6H2,(H,15,16);1H
InChIKeyPBMLUHIRRWPGIY-UHFFFAOYSA-N
MW329.68 g/mol
LogP3.21
Rot. Bonds3

About 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride

2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride (PubChem CID 119461858) has the molecular formula C11H15Cl3N2OS and a molecular weight of 329.68 g/mol. Its IUPAC name is 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
PubChem CID119461858
Molecular FormulaC11H15Cl3N2OS
Molecular Weight329.68 g/mol
Exact Mass328.00
IUPAC Name2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-4-8(10(13)17-9)11(16)15-6-7-2-1-3-14-5-7;/h4,7,14H,1-3,5-6H2,(H,15,16);1H
InChIKeyPBMLUHIRRWPGIY-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461750
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride (CID 119461858) is 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is PBMLUHIRRWPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS.ClH/c12-9-4-8(10(13)17-9)11(16)15-6-7-2-1-3-14-5-7;/h4,7,14H,1-3,5-6H2,(H,15,16);1H.
What are the key properties of 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride?
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 329.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).