N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

C20H25FN2OS — CID 46054318

IUPACN-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H25FN2OS/c1-15(2)20(24)23(17-7-5-16(21)6-8-17)18-9-11-22(12-10-18)14-19-4-3-13-25-19/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyFRZKCZLLOQCWAN-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.54
Rot. Bonds5

About N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 46054318) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID46054318
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC NameN-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H25FN2OS/c1-15(2)20(24)23(17-7-5-16(21)6-8-17)18-9-11-22(12-10-18)14-19-4-3-13-25-19/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyFRZKCZLLOQCWAN-UHFFFAOYSA-N
XLogP4.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (CID 46054318) is N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is FRZKCZLLOQCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-15(2)20(24)23(17-7-5-16(21)6-8-17)18-9-11-22(12-10-18)14-19-4-3-13-25-19/h3-8,13,15,18H,9-12,14H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46054318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).