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

C22H30N2O2S — CID 67904225

IUPACN-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)OC
InChIInChI=1S/C22H30N2O2S/c1-4-21(25)24(18-9-6-5-7-10-18)20-13-15-23(17-22(20,2)26-3)14-12-19-11-8-16-27-19/h5-11,16,20H,4,12-15,17H2,1-3H3
InChIKeyZBFDMPOGYLOEDX-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.21
Rot. Bonds7

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

N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 67904225) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID67904225
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)OC
InChIInChI=1S/C22H30N2O2S/c1-4-21(25)24(18-9-6-5-7-10-18)20-13-15-23(17-22(20,2)26-3)14-12-19-11-8-16-27-19/h5-11,16,20H,4,12-15,17H2,1-3H3
InChIKeyZBFDMPOGYLOEDX-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 67904225) is N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)OC.
What is the InChIKey of N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is ZBFDMPOGYLOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-4-21(25)24(18-9-6-5-7-10-18)20-13-15-23(17-22(20,2)26-3)14-12-19-11-8-16-27-19/h5-11,16,20H,4,12-15,17H2,1-3H3.
What are the key properties of N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 386.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 67904225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).