1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide

C14H22N4O2 — CID 71899340

IUPAC1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H22N4O2/c1-9-12(10(2)17(3)16-9)7-13(19)18-6-4-5-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20)
InChIKeyWDMOFWWVCOHDQN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.30
Rot. Bonds3

About 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide

1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide (PubChem CID 71899340) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
PubChem CID71899340
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H22N4O2/c1-9-12(10(2)17(3)16-9)7-13(19)18-6-4-5-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20)
InChIKeyWDMOFWWVCOHDQN-UHFFFAOYSA-N
XLogP0.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide (CID 71899340) is 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is WDMOFWWVCOHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-12(10(2)17(3)16-9)7-13(19)18-6-4-5-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20).
What are the key properties of 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide?
1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 71899340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).