N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide

C11H17N5O3 — CID 120575393

IUPACN-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N5O3/c1-8-10(3-2-4-12-8)14-11(17)7-15-6-9(5-13-15)16(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,14,17)
InChIKeyVCGCUUFRLRATFL-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.05
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide

N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 120575393) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID120575393
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N5O3/c1-8-10(3-2-4-12-8)14-11(17)7-15-6-9(5-13-15)16(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,14,17)
InChIKeyVCGCUUFRLRATFL-UHFFFAOYSA-N
XLogP0.05
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 43417279
cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676054
N-(1,2-dimethylcyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 122152287
N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
CID 120556078
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
CID 120574886
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120575298
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120574425
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide (CID 120575393) is N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide is CC1NCCCC1NC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is VCGCUUFRLRATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-8-10(3-2-4-12-8)14-11(17)7-15-6-9(5-13-15)16(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,14,17).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 120575393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).