N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

C19H24FN3OS — CID 30645182

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C19H24FN3OS/c1-15-4-5-16(11-18(15)20)12-21-19(24)14-23-8-6-22(7-9-23)13-17-3-2-10-25-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,21,24)
InChIKeyYEJNPMJOFOADAO-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.63
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 30645182) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID30645182
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(Cc3cccs3)CC2)cc1F
InChIInChI=1S/C19H24FN3OS/c1-15-4-5-16(11-18(15)20)12-21-19(24)14-23-8-6-22(7-9-23)13-17-3-2-10-25-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,21,24)
InChIKeyYEJNPMJOFOADAO-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30040462
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 87013977
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36727311
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581
methyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]butanoate
CID 30965418

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (CID 30645182) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is Cc1ccc(CNC(=O)CN2CCN(Cc3cccs3)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is YEJNPMJOFOADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-15-4-5-16(11-18(15)20)12-21-19(24)14-23-8-6-22(7-9-23)13-17-3-2-10-25-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30645182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).