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

C21H28FN3OS — CID 7086561

IUPACN-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3OS/c1-15(2)21(26)23-16(3)20(19-5-4-14-27-19)25-12-10-24(11-13-25)18-8-6-17(22)7-9-18/h4-9,14-16,20H,10-13H2,1-3H3,(H,23,26)/t16-,20-/m1/s1
InChIKeyRWGLNYQBGNIIPC-OXQOHEQNSA-N
MW389.54 g/mol
LogP3.91
Rot. Bonds6

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

N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 7086561) has the molecular formula C21H28FN3OS and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
PubChem CID7086561
Molecular FormulaC21H28FN3OS
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC NameN-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3OS/c1-15(2)21(26)23-16(3)20(19-5-4-14-27-19)25-12-10-24(11-13-25)18-8-6-17(22)7-9-18/h4-9,14-16,20H,10-13H2,1-3H3,(H,23,26)/t16-,20-/m1/s1
InChIKeyRWGLNYQBGNIIPC-OXQOHEQNSA-N
XLogP3.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397015
2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145
2-chloro-N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 129366046
2-methyl-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665812
2-methyl-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665810
4-fluoro-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 20866508
N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 27397079
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
1-(2,5-dimethylphenyl)-3-[(1S,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]thiourea
CID 30889304
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916
2,6-difluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397245

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide (CID 7086561) is N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
The InChIKey is RWGLNYQBGNIIPC-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H28FN3OS/c1-15(2)21(26)23-16(3)20(19-5-4-14-27-19)25-12-10-24(11-13-25)18-8-6-17(22)7-9-18/h4-9,14-16,20H,10-13H2,1-3H3,(H,23,26)/t16-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 389.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 7086561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).