N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

C15H21N5OS — CID 71894036

IUPACN-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H21N5OS/c21-15(17-3-5-19-4-2-16-13-19)20-8-6-18(7-9-20)11-14-1-10-22-12-14/h1-2,4,10,12-13H,3,5-9,11H2,(H,17,21)
InChIKeyGXYMGBDIOFHPSX-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.47
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71894036) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71894036
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H21N5OS/c21-15(17-3-5-19-4-2-16-13-19)20-8-6-18(7-9-20)11-14-1-10-22-12-14/h1-2,4,10,12-13H,3,5-9,11H2,(H,17,21)
InChIKeyGXYMGBDIOFHPSX-UHFFFAOYSA-N
XLogP1.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 47240716
3-(1-Imidazol-1-ylpropan-2-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
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CID 53499624
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1-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-3-(thiophen-2-yl)urea
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(2-(1H-imidazol-1-yl)ethyl)((thiophen-3-yl)methyl)amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 71894036) is N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is O=C(NCCn1ccnc1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GXYMGBDIOFHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c21-15(17-3-5-19-4-2-16-13-19)20-8-6-18(7-9-20)11-14-1-10-22-12-14/h1-2,4,10,12-13H,3,5-9,11H2,(H,17,21).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71894036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).