[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate

C15H23NO2S — CID 174676624

IUPAC[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(c1ccsc1)C1CCCNC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-6-8-19-10-12)11-5-4-7-16-9-11/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyYFPDAXAUWXHKOD-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.38
Rot. Bonds3

About [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate

[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate (PubChem CID 174676624) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
PubChem CID174676624
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(c1ccsc1)C1CCCNC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-6-8-19-10-12)11-5-4-7-16-9-11/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyYFPDAXAUWXHKOD-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
CID 174779400
[(4-chlorophenyl)-piperidin-4-ylmethyl] 2,2-dimethylpropanoate
CID 174613743
1-(azepan-4-yl)ethyl 2,2-dimethylpropanoate
CID 174702344
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
CID 174558406
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119740795
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
CID 82303366
nitroso 2-cyclohexyl-2-thiophen-3-ylacetate
CID 87954656

Frequently Asked Questions

What is the IUPAC name of [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The IUPAC name of [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate (CID 174676624) is [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The canonical SMILES for [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(c1ccsc1)C1CCCNC1.
What is the InChIKey of [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The InChIKey is YFPDAXAUWXHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-6-8-19-10-12)11-5-4-7-16-9-11/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3.
What are the key properties of [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate has a molecular weight of 281.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174676624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).