(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one

C9H14N4O — CID 119031223

IUPAC(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1N
InChIInChI=1S/C9H14N4O/c1-13-7(4-5-11-13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14)/t6-,9-/m1/s1
InChIKeyILJMTLNANLVYOF-HZGVNTEJSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds1

About (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one

(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 119031223) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID119031223
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1N
InChIInChI=1S/C9H14N4O/c1-13-7(4-5-11-13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14)/t6-,9-/m1/s1
InChIKeyILJMTLNANLVYOF-HZGVNTEJSA-N
XLogP-0.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 119031223) is (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one is Cn1nccc1[C@@H]1NC(=O)CC[C@H]1N.
What is the InChIKey of (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is ILJMTLNANLVYOF-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-7(4-5-11-13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14)/t6-,9-/m1/s1.
What are the key properties of (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one?
(5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-amino-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 119031223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).