4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide

C15H26N4OS — CID 80721705

IUPAC4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN1CCC(N(C)Cc2cc(C(=O)NN)sc2C)CC1
InChIInChI=1S/C15H26N4OS/c1-4-19-7-5-13(6-8-19)18(3)10-12-9-14(15(20)17-16)21-11(12)2/h9,13H,4-8,10,16H2,1-3H3,(H,17,20)
InChIKeyLEFMYDPVYSMCBK-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.58
Rot. Bonds5

About 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide

4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80721705) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80721705
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCN1CCC(N(C)Cc2cc(C(=O)NN)sc2C)CC1
InChIInChI=1S/C15H26N4OS/c1-4-19-7-5-13(6-8-19)18(3)10-12-9-14(15(20)17-16)21-11(12)2/h9,13H,4-8,10,16H2,1-3H3,(H,17,20)
InChIKeyLEFMYDPVYSMCBK-UHFFFAOYSA-N
XLogP1.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide (CID 80721705) is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide is CCN1CCC(N(C)Cc2cc(C(=O)NN)sc2C)CC1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is LEFMYDPVYSMCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-19-7-5-13(6-8-19)18(3)10-12-9-14(15(20)17-16)21-11(12)2/h9,13H,4-8,10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 310.47 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80721705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).