6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide

C11H16N4O2 — CID 54876825

IUPAC6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c1-7-2-3-8(10(12)16)6-15(7)11(17)9-4-13-14-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyLTJGPWLRCMRIKZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.14
Rot. Bonds2

About 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide

6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 54876825) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID54876825
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c1-7-2-3-8(10(12)16)6-15(7)11(17)9-4-13-14-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyLTJGPWLRCMRIKZ-UHFFFAOYSA-N
XLogP0.14
TPSA92.08 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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide (CID 54876825) is 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1cn[nH]c1.
What is the InChIKey of 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is LTJGPWLRCMRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-2-3-8(10(12)16)6-15(7)11(17)9-4-13-14-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 54876825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).