2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride

C11H16ClN3O2S — CID 119427834

IUPAC2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1csc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C11H15N3O2S.ClH/c12-10(15)7-4-9(17-6-7)11(16)14-8-2-1-3-13-5-8;/h4,6,8,13H,1-3,5H2,(H2,12,15)(H,14,16);1H
InChIKeyRVNVZVJLUITSON-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.75
Rot. Bonds3

About 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride

2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride (PubChem CID 119427834) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
PubChem CID119427834
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1csc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C11H15N3O2S.ClH/c12-10(15)7-4-9(17-6-7)11(16)14-8-2-1-3-13-5-8;/h4,6,8,13H,1-3,5H2,(H2,12,15)(H,14,16);1H
InChIKeyRVNVZVJLUITSON-UHFFFAOYSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
4-methoxy-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 104645591
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
5-bromo-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119425749
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666

Frequently Asked Questions

What is the IUPAC name of 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride (CID 119427834) is 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride is Cl.NC(=O)c1csc(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride?
The InChIKey is RVNVZVJLUITSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S.ClH/c12-10(15)7-4-9(17-6-7)11(16)14-8-2-1-3-13-5-8;/h4,6,8,13H,1-3,5H2,(H2,12,15)(H,14,16);1H.
What are the key properties of 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride?
2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride has a molecular weight of 289.79 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119427834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).