2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride

C12H18ClN3O2S — CID 119463278

IUPAC2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1csc(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C12H17N3O2S.ClH/c13-11(16)9-4-10(18-7-9)12(17)15-6-8-2-1-3-14-5-8;/h4,7-8,14H,1-3,5-6H2,(H2,13,16)(H,15,17);1H
InChIKeyYNNKUIYCRVHVHQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.00
Rot. Bonds4

About 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride

2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride (PubChem CID 119463278) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
PubChem CID119463278
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1csc(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C12H17N3O2S.ClH/c13-11(16)9-4-10(18-7-9)12(17)15-6-8-2-1-3-14-5-8;/h4,7-8,14H,1-3,5-6H2,(H2,13,16)(H,15,17);1H
InChIKeyYNNKUIYCRVHVHQ-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
CID 119427834
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
CID 125439832
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-oxo-N-(piperidin-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102711450
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068

Frequently Asked Questions

What is the IUPAC name of 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride (CID 119463278) is 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride is Cl.NC(=O)c1csc(C(=O)NCC2CCCNC2)c1.
What is the InChIKey of 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride?
The InChIKey is YNNKUIYCRVHVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S.ClH/c13-11(16)9-4-10(18-7-9)12(17)15-6-8-2-1-3-14-5-8;/h4,7-8,14H,1-3,5-6H2,(H2,13,16)(H,15,17);1H.
What are the key properties of 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride?
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119463278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).