2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide

C23H30N2O3S — CID 108553319

IUPAC2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-16(2)18-6-8-20(9-7-18)28-17(3)23(27)24-19-10-12-25(13-11-19)22(26)15-21-5-4-14-29-21/h4-9,14,16-17,19H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyVQWKBJKJMYXDME-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide

2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 108553319) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
PubChem CID108553319
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-16(2)18-6-8-20(9-7-18)28-17(3)23(27)24-19-10-12-25(13-11-19)22(26)15-21-5-4-14-29-21/h4-9,14,16-17,19H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyVQWKBJKJMYXDME-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide (CID 108553319) is 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is VQWKBJKJMYXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16(2)18-6-8-20(9-7-18)28-17(3)23(27)24-19-10-12-25(13-11-19)22(26)15-21-5-4-14-29-21/h4-9,14,16-17,19H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 414.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).