1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one

C15H24N2OS — CID 65245379

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(Cc2cc(C)c(C)s2)C1=O
InChIInChI=1S/C15H24N2OS/c1-4-7-16-14-6-5-8-17(15(14)18)10-13-9-11(2)12(3)19-13/h9,14,16H,4-8,10H2,1-3H3
InChIKeyWVTXKVFSEKSINO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.86
Rot. Bonds5

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one

1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one (PubChem CID 65245379) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
PubChem CID65245379
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(Cc2cc(C)c(C)s2)C1=O
InChIInChI=1S/C15H24N2OS/c1-4-7-16-14-6-5-8-17(15(14)18)10-13-9-11(2)12(3)19-13/h9,14,16H,4-8,10H2,1-3H3
InChIKeyWVTXKVFSEKSINO-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one (CID 65245379) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one is CCCNC1CCCN(Cc2cc(C)c(C)s2)C1=O.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one?
The InChIKey is WVTXKVFSEKSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-7-16-14-6-5-8-17(15(14)18)10-13-9-11(2)12(3)19-13/h9,14,16H,4-8,10H2,1-3H3.
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one?
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one has a molecular weight of 280.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 65245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).