2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide

C15H26N4O — CID 51595414

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
SMILESCCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C15H26N4O/c1-4-18-8-6-5-7-14(18)10-16-15(20)11-19-13(3)9-12(2)17-19/h9,14H,4-8,10-11H2,1-3H3,(H,16,20)/t14-/m1/s1
InChIKeyKTDKSIMZFIHISB-CQSZACIVSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide (PubChem CID 51595414) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
PubChem CID51595414
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
SMILESCCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C15H26N4O/c1-4-18-8-6-5-7-14(18)10-16-15(20)11-19-13(3)9-12(2)17-19/h9,14H,4-8,10-11H2,1-3H3,(H,16,20)/t14-/m1/s1
InChIKeyKTDKSIMZFIHISB-CQSZACIVSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide (CID 51595414) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide is CCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The InChIKey is KTDKSIMZFIHISB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18-8-6-5-7-14(18)10-16-15(20)11-19-13(3)9-12(2)17-19/h9,14H,4-8,10-11H2,1-3H3,(H,16,20)/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 51595414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).