1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide

C11H16N4O2 — CID 43429646

IUPAC1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C11H16N4O2/c1-8(16)15-4-2-3-9(7-15)11(17)14-10-5-12-13-6-10/h5-6,9H,2-4,7H2,1H3,(H,12,13)(H,14,17)
InChIKeyQALPKKOKDXIPSL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.61
Rot. Bonds2

About 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide

1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 43429646) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide
PubChem CID43429646
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C11H16N4O2/c1-8(16)15-4-2-3-9(7-15)11(17)14-10-5-12-13-6-10/h5-6,9H,2-4,7H2,1H3,(H,12,13)(H,14,17)
InChIKeyQALPKKOKDXIPSL-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide (CID 43429646) is 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is QALPKKOKDXIPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(16)15-4-2-3-9(7-15)11(17)14-10-5-12-13-6-10/h5-6,9H,2-4,7H2,1H3,(H,12,13)(H,14,17).
What are the key properties of 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide?
1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43429646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).