N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid

C18H30N4O3 — CID 154914576

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
SMILESCC(CC(=O)Nc1ccnn1C1CCCC1)N1CCCCC1.O=CO
InChIInChI=1S/C17H28N4O.CH2O2/c1-14(20-11-5-2-6-12-20)13-17(22)19-16-9-10-18-21(16)15-7-3-4-8-15;2-1-3/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,22);1H,(H,2,3)
InChIKeyVHVHWQWJIZIFHG-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.90
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid

N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid (PubChem CID 154914576) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
PubChem CID154914576
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
SMILESCC(CC(=O)Nc1ccnn1C1CCCC1)N1CCCCC1.O=CO
InChIInChI=1S/C17H28N4O.CH2O2/c1-14(20-11-5-2-6-12-20)13-17(22)19-16-9-10-18-21(16)15-7-3-4-8-15;2-1-3/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,22);1H,(H,2,3)
InChIKeyVHVHWQWJIZIFHG-UHFFFAOYSA-N
XLogP2.90
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid (CID 154914576) is N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid is CC(CC(=O)Nc1ccnn1C1CCCC1)N1CCCCC1.O=CO.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid?
The InChIKey is VHVHWQWJIZIFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.CH2O2/c1-14(20-11-5-2-6-12-20)13-17(22)19-16-9-10-18-21(16)15-7-3-4-8-15;2-1-3/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,22);1H,(H,2,3).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid?
N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid has a molecular weight of 350.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid is sourced from PubChem (CID 154914576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).