2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

C11H14Cl2N2OS — CID 103805410

IUPAC2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c12-9-5-8(10(13)17-9)11(16)15-6-7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,16)
InChIKeyWJUYLYZUDPTRFO-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.78
Rot. Bonds3

About 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 103805410) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID103805410
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c12-9-5-8(10(13)17-9)11(16)15-6-7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,16)
InChIKeyWJUYLYZUDPTRFO-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (CID 103805410) is 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide is O=C(NCC1CCNCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is WJUYLYZUDPTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c12-9-5-8(10(13)17-9)11(16)15-6-7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,16).
What are the key properties of 2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 293.22 g/mol, XLogP of 2.78, 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-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 103805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).