N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide

C16H24N2O2S — CID 123558565

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NCCC(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H24N2O2S/c1-2-6-14-11-13(12-21-14)16(20)17-8-7-15(19)18-9-4-3-5-10-18/h11-12H,2-10H2,1H3,(H,17,20)
InChIKeyYRLQUWRQXWJDCN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.83
Rot. Bonds6

About N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide

N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide (PubChem CID 123558565) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide
PubChem CID123558565
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NCCC(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H24N2O2S/c1-2-6-14-11-13(12-21-14)16(20)17-8-7-15(19)18-9-4-3-5-10-18/h11-12H,2-10H2,1H3,(H,17,20)
InChIKeyYRLQUWRQXWJDCN-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide (CID 123558565) is N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)NCCC(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide?
The InChIKey is YRLQUWRQXWJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-6-14-11-13(12-21-14)16(20)17-8-7-15(19)18-9-4-3-5-10-18/h11-12H,2-10H2,1H3,(H,17,20).
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 123558565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).