2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

C12H18N4O2 — CID 169114290

IUPAC2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccn(C)n2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C12H18N4O2/c1-8-3-4-10(9-5-6-15(2)14-9)16(7-8)12(18)11(13)17/h5-6,8,10H,3-4,7H2,1-2H3,(H2,13,17)/t8-,10+/m0/s1
InChIKeyLMAPDEXGWCZNCZ-WCBMZHEXSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds1

About 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169114290) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID169114290
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccn(C)n2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C12H18N4O2/c1-8-3-4-10(9-5-6-15(2)14-9)16(7-8)12(18)11(13)17/h5-6,8,10H,3-4,7H2,1-2H3,(H2,13,17)/t8-,10+/m0/s1
InChIKeyLMAPDEXGWCZNCZ-WCBMZHEXSA-N
XLogP0.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (CID 169114290) is 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccn(C)n2)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is LMAPDEXGWCZNCZ-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-3-4-10(9-5-6-15(2)14-9)16(7-8)12(18)11(13)17/h5-6,8,10H,3-4,7H2,1-2H3,(H2,13,17)/t8-,10+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).