1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide

C13H20N4O2 — CID 136549864

IUPAC1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
SMILESCCn1ccc(CC(=O)N2CCCCC2C(N)=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-16-8-6-10(15-16)9-12(18)17-7-4-3-5-11(17)13(14)19/h6,8,11H,2-5,7,9H2,1H3,(H2,14,19)
InChIKeyGTTFZQUAGJKEAT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.31
Rot. Bonds4

About 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide

1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide (PubChem CID 136549864) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
PubChem CID136549864
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
SMILESCCn1ccc(CC(=O)N2CCCCC2C(N)=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-16-8-6-10(15-16)9-12(18)17-7-4-3-5-11(17)13(14)19/h6,8,11H,2-5,7,9H2,1H3,(H2,14,19)
InChIKeyGTTFZQUAGJKEAT-UHFFFAOYSA-N
XLogP0.31
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
CID 54978369
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidine-2-carboxamide
CID 146123465
1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-ethylpyrazol-3-yl)ethanone
CID 146141517
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide (CID 136549864) is 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide is CCn1ccc(CC(=O)N2CCCCC2C(N)=O)n1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide?
The InChIKey is GTTFZQUAGJKEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-16-8-6-10(15-16)9-12(18)17-7-4-3-5-11(17)13(14)19/h6,8,11H,2-5,7,9H2,1H3,(H2,14,19).
What are the key properties of 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide?
1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 136549864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).