ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate

C14H21NO2S — CID 763258

IUPACethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C14H21NO2S/c1-3-17-14(16)12-5-4-7-15(9-12)10-13-11(2)6-8-18-13/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyDJEZEGQIKVSFRB-GFCCVEGCSA-N
MW267.39 g/mol
LogP2.83
Rot. Bonds4

About ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate

ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 763258) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate
PubChem CID763258
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C14H21NO2S/c1-3-17-14(16)12-5-4-7-15(9-12)10-13-11(2)6-8-18-13/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyDJEZEGQIKVSFRB-GFCCVEGCSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate (CID 763258) is ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(Cc2sccc2C)C1.
What is the InChIKey of ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is DJEZEGQIKVSFRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-17-14(16)12-5-4-7-15(9-12)10-13-11(2)6-8-18-13/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 763258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).