2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H28N4O — CID 47006256

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2ccnn2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-11(2)20-15(6-7-17-20)18-16(21)14(5)19-9-12(3)8-13(4)10-19/h6-7,11-14H,8-10H2,1-5H3,(H,18,21)
InChIKeyNLEXLHMLXWWAIQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.77
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 47006256) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID47006256
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2ccnn2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-11(2)20-15(6-7-17-20)18-16(21)14(5)19-9-12(3)8-13(4)10-19/h6-7,11-14H,8-10H2,1-5H3,(H,18,21)
InChIKeyNLEXLHMLXWWAIQ-UHFFFAOYSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 47006256) is 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC1CC(C)CN(C(C)C(=O)Nc2ccnn2C(C)C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is NLEXLHMLXWWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)20-15(6-7-17-20)18-16(21)14(5)19-9-12(3)8-13(4)10-19/h6-7,11-14H,8-10H2,1-5H3,(H,18,21).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 292.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 47006256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).