1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

C13H20N4O2 — CID 43429784

IUPAC1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13(19)17-5-3-10(4-6-17)12(18)16-11-7-14-15-8-11/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyKTKYFJQXLAUADJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.24
Rot. Bonds3

About 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 43429784) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
PubChem CID43429784
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13(19)17-5-3-10(4-6-17)12(18)16-11-7-14-15-8-11/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyKTKYFJQXLAUADJ-UHFFFAOYSA-N
XLogP1.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (CID 43429784) is 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is KTKYFJQXLAUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)13(19)17-5-3-10(4-6-17)12(18)16-11-7-14-15-8-11/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43429784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).