N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H20N2O2S — CID 83022785

IUPACN-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-6-12(2)17(11)16-15(19)14-9-8-13(20-14)7-4-10-18/h8-9,11-12,18H,3,5-6,10H2,1-2H3,(H,16,19)
InChIKeyCIZBXJCCZUTPQI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.00
Rot. Bonds2

About N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 83022785) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID83022785
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-6-12(2)17(11)16-15(19)14-9-8-13(20-14)7-4-10-18/h8-9,11-12,18H,3,5-6,10H2,1-2H3,(H,16,19)
InChIKeyCIZBXJCCZUTPQI-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 83022785) is N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CC1CCCC(C)N1NC(=O)c1ccc(C#CCO)s1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is CIZBXJCCZUTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-5-3-6-12(2)17(11)16-15(19)14-9-8-13(20-14)7-4-10-18/h8-9,11-12,18H,3,5-6,10H2,1-2H3,(H,16,19).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 83022785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).