1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine

C17H26N4S — CID 164631954

IUPAC1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine
SMILESCCc1nccn1C[C@H](C)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H26N4S/c1-3-17-18-6-7-21(17)13-15(2)20-10-8-19(9-11-20)14-16-5-4-12-22-16/h4-7,12,15H,3,8-11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyWCDDHJHJIZYDNL-HNNXBMFYSA-N
MW318.49 g/mol
LogP2.71
Rot. Bonds6

About 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine

1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 164631954) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine
PubChem CID164631954
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine
SMILESCCc1nccn1C[C@H](C)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H26N4S/c1-3-17-18-6-7-21(17)13-15(2)20-10-8-19(9-11-20)14-16-5-4-12-22-16/h4-7,12,15H,3,8-11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyWCDDHJHJIZYDNL-HNNXBMFYSA-N
XLogP2.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine (CID 164631954) is 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine is CCc1nccn1C[C@H](C)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is WCDDHJHJIZYDNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-3-17-18-6-7-21(17)13-15(2)20-10-8-19(9-11-20)14-16-5-4-12-22-16/h4-7,12,15H,3,8-11,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine?
1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 318.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 164631954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).