2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide

C14H18N6O2 — CID 166211770

IUPAC2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
SMILESCn1cc(C(=O)C(=O)Nc2cnn(C3CCNCC3)c2)cn1
InChIInChI=1S/C14H18N6O2/c1-19-8-10(6-16-19)13(21)14(22)18-11-7-17-20(9-11)12-2-4-15-5-3-12/h6-9,12,15H,2-5H2,1H3,(H,18,22)
InChIKeyYTAAFJGWZDNZQS-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.36
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide

2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide (PubChem CID 166211770) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
PubChem CID166211770
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
SMILESCn1cc(C(=O)C(=O)Nc2cnn(C3CCNCC3)c2)cn1
InChIInChI=1S/C14H18N6O2/c1-19-8-10(6-16-19)13(21)14(22)18-11-7-17-20(9-11)12-2-4-15-5-3-12/h6-9,12,15H,2-5H2,1H3,(H,18,22)
InChIKeyYTAAFJGWZDNZQS-UHFFFAOYSA-N
XLogP0.36
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
CID 166211763
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067
2-ethyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 154930924
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 166298550
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
CID 142434812
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 166160032
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide (CID 166211770) is 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide is Cn1cc(C(=O)C(=O)Nc2cnn(C3CCNCC3)c2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide?
The InChIKey is YTAAFJGWZDNZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19-8-10(6-16-19)13(21)14(22)18-11-7-17-20(9-11)12-2-4-15-5-3-12/h6-9,12,15H,2-5H2,1H3,(H,18,22).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide?
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide has a molecular weight of 302.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166211770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).