5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide

C14H16N2O3S — CID 63661107

IUPAC5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc(C#CCCO)s2)CN1
InChIInChI=1S/C14H16N2O3S/c17-8-2-1-3-11-5-6-12(20-11)14(19)16-10-4-7-13(18)15-9-10/h5-6,10,17H,2,4,7-9H2,(H,15,18)(H,16,19)
InChIKeyYQRZDDYRRXHQJP-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.49
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 63661107) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide
PubChem CID63661107
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc(C#CCCO)s2)CN1
InChIInChI=1S/C14H16N2O3S/c17-8-2-1-3-11-5-6-12(20-11)14(19)16-10-4-7-13(18)15-9-10/h5-6,10,17H,2,4,7-9H2,(H,15,18)(H,16,19)
InChIKeyYQRZDDYRRXHQJP-UHFFFAOYSA-N
XLogP0.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
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 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide (CID 63661107) is 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide is O=C1CCC(NC(=O)c2ccc(C#CCCO)s2)CN1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is YQRZDDYRRXHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-8-2-1-3-11-5-6-12(20-11)14(19)16-10-4-7-13(18)15-9-10/h5-6,10,17H,2,4,7-9H2,(H,15,18)(H,16,19).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 63661107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).