2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide

C16H28N6O2 — CID 75369810

IUPAC2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(Cc2nccn2CC)CC1
InChIInChI=1S/C16H28N6O2/c1-3-5-18-16(24)19-15(23)13-21-10-8-20(9-11-21)12-14-17-6-7-22(14)4-2/h6-7H,3-5,8-13H2,1-2H3,(H2,18,19,23,24)
InChIKeyMXPGSIGJTHGQKL-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.26
Rot. Bonds7

About 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide

2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 75369810) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID75369810
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(Cc2nccn2CC)CC1
InChIInChI=1S/C16H28N6O2/c1-3-5-18-16(24)19-15(23)13-21-10-8-20(9-11-21)12-14-17-6-7-22(14)4-2/h6-7H,3-5,8-13H2,1-2H3,(H2,18,19,23,24)
InChIKeyMXPGSIGJTHGQKL-UHFFFAOYSA-N
XLogP0.26
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide (CID 75369810) is 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCN(Cc2nccn2CC)CC1.
What is the InChIKey of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is MXPGSIGJTHGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-3-5-18-16(24)19-15(23)13-21-10-8-20(9-11-21)12-14-17-6-7-22(14)4-2/h6-7H,3-5,8-13H2,1-2H3,(H2,18,19,23,24).
What are the key properties of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 75369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).