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

C21H26FN3OS — CID 7086521

IUPACN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3OS/c1-15(23-21(26)16-8-9-16)20(19-7-4-14-27-19)25-12-10-24(11-13-25)18-6-3-2-5-17(18)22/h2-7,14-16,20H,8-13H2,1H3,(H,23,26)/t15-,20+/m1/s1
InChIKeyNGFUJILIHNOJQJ-QRWLVFNGSA-N
MW387.52 g/mol
LogP3.67
Rot. Bonds6

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

N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 7086521) has the molecular formula C21H26FN3OS and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
PubChem CID7086521
Molecular FormulaC21H26FN3OS
Molecular Weight387.52 g/mol
Exact Mass387.18
IUPAC NameN-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3OS/c1-15(23-21(26)16-8-9-16)20(19-7-4-14-27-19)25-12-10-24(11-13-25)18-6-3-2-5-17(18)22/h2-7,14-16,20H,8-13H2,1H3,(H,23,26)/t15-,20+/m1/s1
InChIKeyNGFUJILIHNOJQJ-QRWLVFNGSA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.67
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]cyclohexanecarboxamide
CID 7086532
N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086518
N',N'-diethyl-N-[(1R,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821171
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
N'-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 20866441

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]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide (CID 7086521) is N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide is C[C@@H](NC(=O)C1CC1)[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]cyclopropanecarboxamide?
The InChIKey is NGFUJILIHNOJQJ-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H26FN3OS/c1-15(23-21(26)16-8-9-16)20(19-7-4-14-27-19)25-12-10-24(11-13-25)18-6-3-2-5-17(18)22/h2-7,14-16,20H,8-13H2,1H3,(H,23,26)/t15-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide?
N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.67, 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]cyclopropanecarboxamide is sourced from PubChem (CID 7086521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).