2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C16H24N6O2 — CID 135105566

IUPAC2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-20-10-6-17-16(20)15(24)12-3-8-22(9-4-12)11-14(23)18-13-5-7-21(2)19-13/h5-7,10,12,15,24H,3-4,8-9,11H2,1-2H3,(H,18,19,23)
InChIKeyGZOHHLXAAPYQIX-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.54
Rot. Bonds5

About 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 135105566) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID135105566
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-20-10-6-17-16(20)15(24)12-3-8-22(9-4-12)11-14(23)18-13-5-7-21(2)19-13/h5-7,10,12,15,24H,3-4,8-9,11H2,1-2H3,(H,18,19,23)
InChIKeyGZOHHLXAAPYQIX-UHFFFAOYSA-N
XLogP0.54
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 135105566) is 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GZOHHLXAAPYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20-10-6-17-16(20)15(24)12-3-8-22(9-4-12)11-14(23)18-13-5-7-21(2)19-13/h5-7,10,12,15,24H,3-4,8-9,11H2,1-2H3,(H,18,19,23).
What are the key properties of 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 135105566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).