2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

C11H18N4O — CID 104596520

IUPAC2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCc2cn[nH]c2)CCCCN1
InChIInChI=1S/C11H18N4O/c1-11(4-2-3-5-13-11)10(16)12-6-9-7-14-15-8-9/h7-8,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyVLKZAJOCHJSYPK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 104596520) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
PubChem CID104596520
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCc2cn[nH]c2)CCCCN1
InChIInChI=1S/C11H18N4O/c1-11(4-2-3-5-13-11)10(16)12-6-9-7-14-15-8-9/h7-8,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyVLKZAJOCHJSYPK-UHFFFAOYSA-N
XLogP0.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (CID 104596520) is 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is CC1(C(=O)NCc2cn[nH]c2)CCCCN1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is VLKZAJOCHJSYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-2-3-5-13-11)10(16)12-6-9-7-14-15-8-9/h7-8,13H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 104596520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).