4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

C13H22N4O — CID 63128793

IUPAC4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2cn[nH]c2C)CCNCC1
InChIInChI=1S/C13H22N4O/c1-3-13(4-6-14-7-5-13)12(18)15-8-11-9-16-17-10(11)2/h9,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCEAAFKRQUTWWIG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.11
Rot. Bonds4

About 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 63128793) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID63128793
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2cn[nH]c2C)CCNCC1
InChIInChI=1S/C13H22N4O/c1-3-13(4-6-14-7-5-13)12(18)15-8-11-9-16-17-10(11)2/h9,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCEAAFKRQUTWWIG-UHFFFAOYSA-N
XLogP1.11
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 63128793) is 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is CCC1(C(=O)NCc2cn[nH]c2C)CCNCC1.
What is the InChIKey of 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CEAAFKRQUTWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-13(4-6-14-7-5-13)12(18)15-8-11-9-16-17-10(11)2/h9,14H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 63128793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).