N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide

C15H24N2OS — CID 9120728

IUPACN-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCC[C@H](C)C1
InChIInChI=1S/C15H24N2OS/c1-10-6-5-7-17(8-10)9-14-11(2)12(3)19-15(14)16-13(4)18/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyYCKOJEJMPUAKAG-JTQLQIEISA-N
MW280.44 g/mol
LogP3.56
Rot. Bonds3

About N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide

N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide (PubChem CID 9120728) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
PubChem CID9120728
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCC[C@H](C)C1
InChIInChI=1S/C15H24N2OS/c1-10-6-5-7-17(8-10)9-14-11(2)12(3)19-15(14)16-13(4)18/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyYCKOJEJMPUAKAG-JTQLQIEISA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 51673725
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
methyl 4,5-dimethyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylate
CID 27516466
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide (CID 9120728) is N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide is CC(=O)Nc1sc(C)c(C)c1CN1CCC[C@H](C)C1.
What is the InChIKey of N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The InChIKey is YCKOJEJMPUAKAG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-6-5-7-17(8-10)9-14-11(2)12(3)19-15(14)16-13(4)18/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide?
N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 9120728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).