2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C22H30N2O2S — CID 70455308

IUPAC2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOC(C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C
InChIInChI=1S/C22H30N2O2S/c1-17-16-23(13-11-20-10-7-15-27-20)14-12-21(17)24(22(25)18(2)26-3)19-8-5-4-6-9-19/h4-10,15,17-18,21H,11-14,16H2,1-3H3/t17-,18?,21+/m1/s1
InChIKeyLZKVXBQOOPUNCP-WFYHXULLSA-N
MW386.56 g/mol
LogP4.07
Rot. Bonds7

About 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 70455308) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID70455308
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOC(C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C
InChIInChI=1S/C22H30N2O2S/c1-17-16-23(13-11-20-10-7-15-27-20)14-12-21(17)24(22(25)18(2)26-3)19-8-5-4-6-9-19/h4-10,15,17-18,21H,11-14,16H2,1-3H3/t17-,18?,21+/m1/s1
InChIKeyLZKVXBQOOPUNCP-WFYHXULLSA-N
XLogP4.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 70455308) is 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is COC(C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C.
What is the InChIKey of 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is LZKVXBQOOPUNCP-WFYHXULLSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17-16-23(13-11-20-10-7-15-27-20)14-12-21(17)24(22(25)18(2)26-3)19-8-5-4-6-9-19/h4-10,15,17-18,21H,11-14,16H2,1-3H3/t17-,18?,21+/m1/s1.
What are the key properties of 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 386.56 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 70455308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).