[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate

C19H26N2O4S — CID 68762056

IUPAC[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
SMILESCCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCSCC3)C2)cc1
InChIInChI=1S/C19H26N2O4S/c1-2-14-3-5-15(6-4-14)16-11-17(25-19(23)24)13-21(12-16)18(22)20-7-9-26-10-8-20/h3-6,16-17H,2,7-13H2,1H3,(H,23,24)
InChIKeyOVKCOTJPGGWTTJ-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.27
Rot. Bonds3

About [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate

[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate (PubChem CID 68762056) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
PubChem CID68762056
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
SMILESCCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCSCC3)C2)cc1
InChIInChI=1S/C19H26N2O4S/c1-2-14-3-5-15(6-4-14)16-11-17(25-19(23)24)13-21(12-16)18(22)20-7-9-26-10-8-20/h3-6,16-17H,2,7-13H2,1H3,(H,23,24)
InChIKeyOVKCOTJPGGWTTJ-UHFFFAOYSA-N
XLogP3.27
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
CID 66701395
[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762888
[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 67084237
[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084196
1-(thiomorpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxylic acid
CID 58116581
5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
CID 86666091
ethyl 2-[5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate
CID 58002411
[3-(3-ethoxy-1H-pyrazol-5-yl)-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]-thiomorpholin-4-ylmethanone
CID 141402726
1-(3,5-dimethylphenyl)-3-[5-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]urea
CID 46931631
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
[1-(4-hydroxypiperidine-1-carbonyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084250
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The IUPAC name of [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate (CID 68762056) is [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The canonical SMILES for [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate is CCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCSCC3)C2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The InChIKey is OVKCOTJPGGWTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-2-14-3-5-15(6-4-14)16-11-17(25-19(23)24)13-21(12-16)18(22)20-7-9-26-10-8-20/h3-6,16-17H,2,7-13H2,1H3,(H,23,24).
What are the key properties of [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate has a molecular weight of 378.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68762056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).