N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C23H32N2O3S — CID 19772576

IUPACN-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(C(C)C(O)c2cccs2)CC1
InChIInChI=1S/C23H32N2O3S/c1-4-21(26)25(19-9-6-5-7-10-19)23(17-28-3)12-14-24(15-13-23)18(2)22(27)20-11-8-16-29-20/h5-11,16,18,22,27H,4,12-15,17H2,1-3H3
InChIKeyOZSJJACQMYZOPH-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.09
Rot. Bonds8

About N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 19772576) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID19772576
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(C(C)C(O)c2cccs2)CC1
InChIInChI=1S/C23H32N2O3S/c1-4-21(26)25(19-9-6-5-7-10-19)23(17-28-3)12-14-24(15-13-23)18(2)22(27)20-11-8-16-29-20/h5-11,16,18,22,27H,4,12-15,17H2,1-3H3
InChIKeyOZSJJACQMYZOPH-UHFFFAOYSA-N
XLogP4.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 19772576) is N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(C(C)C(O)c2cccs2)CC1.
What is the InChIKey of N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is OZSJJACQMYZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-4-21(26)25(19-9-6-5-7-10-19)23(17-28-3)12-14-24(15-13-23)18(2)22(27)20-11-8-16-29-20/h5-11,16,18,22,27H,4,12-15,17H2,1-3H3.
What are the key properties of N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 416.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 19772576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).