2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

C20H24FN3O2S — CID 60505820

IUPAC2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(=O)NCc3cccs3)CC2)cc1F
InChIInChI=1S/C20H24FN3O2S/c1-14-5-6-16(12-18(14)21)20(26)24-9-7-23(8-10-24)15(2)19(25)22-13-17-4-3-11-27-17/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,22,25)
InChIKeyFYGDCLTZBBEWOS-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.66
Rot. Bonds5

About 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 60505820) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID60505820
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(=O)NCc3cccs3)CC2)cc1F
InChIInChI=1S/C20H24FN3O2S/c1-14-5-6-16(12-18(14)21)20(26)24-9-7-23(8-10-24)15(2)19(25)22-13-17-4-3-11-27-17/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,22,25)
InChIKeyFYGDCLTZBBEWOS-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60505965
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60513034
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 55841176
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27104700
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 30740454
2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 123946292

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 60505820) is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(C(=O)N2CCN(C(C)C(=O)NCc3cccs3)CC2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FYGDCLTZBBEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-14-5-6-16(12-18(14)21)20(26)24-9-7-23(8-10-24)15(2)19(25)22-13-17-4-3-11-27-17/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 60505820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).