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

C15H18N2O3S — CID 64668256

IUPAC5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1CC(NC(=O)c2ccc(C#CCCO)s2)CCC1=O
InChIInChI=1S/C15H18N2O3S/c1-17-10-11(5-8-14(17)19)16-15(20)13-7-6-12(21-13)4-2-3-9-18/h6-7,11,18H,3,5,8-10H2,1H3,(H,16,20)
InChIKeyLWEIQWRXTXGNMN-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.83
Rot. Bonds3

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

5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 64668256) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
PubChem CID64668256
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1CC(NC(=O)c2ccc(C#CCCO)s2)CCC1=O
InChIInChI=1S/C15H18N2O3S/c1-17-10-11(5-8-14(17)19)16-15(20)13-7-6-12(21-13)4-2-3-9-18/h6-7,11,18H,3,5,8-10H2,1H3,(H,16,20)
InChIKeyLWEIQWRXTXGNMN-UHFFFAOYSA-N
XLogP0.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.83
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 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide (CID 64668256) is 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide is CN1CC(NC(=O)c2ccc(C#CCCO)s2)CCC1=O.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is LWEIQWRXTXGNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17-10-11(5-8-14(17)19)16-15(20)13-7-6-12(21-13)4-2-3-9-18/h6-7,11,18H,3,5,8-10H2,1H3,(H,16,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64668256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).