3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide

C14H16N2O3S — CID 64668058

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1CC(NC(=O)c2sccc2C#CCO)CCC1=O
InChIInChI=1S/C14H16N2O3S/c1-16-9-11(4-5-12(16)18)15-14(19)13-10(3-2-7-17)6-8-20-13/h6,8,11,17H,4-5,7,9H2,1H3,(H,15,19)
InChIKeyDROJZEDXZRFKEN-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.44
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 64668058) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
PubChem CID64668058
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1CC(NC(=O)c2sccc2C#CCO)CCC1=O
InChIInChI=1S/C14H16N2O3S/c1-16-9-11(4-5-12(16)18)15-14(19)13-10(3-2-7-17)6-8-20-13/h6,8,11,17H,4-5,7,9H2,1H3,(H,15,19)
InChIKeyDROJZEDXZRFKEN-UHFFFAOYSA-N
XLogP0.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 63796588
3-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)thiophene-2-carboxamide
CID 63797837
3-(4-hydroxybut-1-ynyl)-N-(6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 63797868
N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 64921671
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 79395346
3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
CID 114550678
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 64668256
N-(3,4-dimethylcyclohexyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 64741832
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63897685
N-(1,3-dimethylpiperidin-4-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 114505804
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide (CID 64668058) is 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide is CN1CC(NC(=O)c2sccc2C#CCO)CCC1=O.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is DROJZEDXZRFKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16-9-11(4-5-12(16)18)15-14(19)13-10(3-2-7-17)6-8-20-13/h6,8,11,17H,4-5,7,9H2,1H3,(H,15,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64668058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).