N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

C24H32FN3OS — CID 7086532

IUPACN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H32FN3OS/c1-18(26-24(29)19-8-3-2-4-9-19)23(22-12-7-17-30-22)28-15-13-27(14-16-28)21-11-6-5-10-20(21)25/h5-7,10-12,17-19,23H,2-4,8-9,13-16H2,1H3,(H,26,29)/t18-,23+/m1/s1
InChIKeyJEKIDGXLWNNTSW-JPYJTQIMSA-N
MW429.61 g/mol
LogP4.84
Rot. Bonds6

About N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 7086532) has the molecular formula C24H32FN3OS and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID7086532
Molecular FormulaC24H32FN3OS
Molecular Weight429.61 g/mol
Exact Mass429.23
IUPAC NameN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H32FN3OS/c1-18(26-24(29)19-8-3-2-4-9-19)23(22-12-7-17-30-22)28-15-13-27(14-16-28)21-11-6-5-10-20(21)25/h5-7,10-12,17-19,23H,2-4,8-9,13-16H2,1H3,(H,26,29)/t18-,23+/m1/s1
InChIKeyJEKIDGXLWNNTSW-JPYJTQIMSA-N
XLogP4.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086521
N',N'-diethyl-N-[(1R,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821171
N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086518
3-fluoro-N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665972
3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665971
N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
CID 28821180
N-[(4-fluorophenyl)methyl]-N'-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 30888868
N'-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[(4-methylphenyl)methyl]oxamide
CID 30888861
1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea
CID 16806647
N'-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92665947
N'-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 92665962
1-(2,5-dimethylphenyl)-3-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]thiourea
CID 30889249

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (CID 7086532) is N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is JEKIDGXLWNNTSW-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H32FN3OS/c1-18(26-24(29)19-8-3-2-4-9-19)23(22-12-7-17-30-22)28-15-13-27(14-16-28)21-11-6-5-10-20(21)25/h5-7,10-12,17-19,23H,2-4,8-9,13-16H2,1H3,(H,26,29)/t18-,23+/m1/s1.
What are the key properties of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 429.61 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 7086532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).