3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide

C15H24N4O — CID 164633668

IUPAC3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide
SMILESCC(C)c1ccc(N2CCC[C@H](CCC(N)=O)C2)nn1
InChIInChI=1S/C15H24N4O/c1-11(2)13-6-8-15(18-17-13)19-9-3-4-12(10-19)5-7-14(16)20/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H2,16,20)/t12-/m1/s1
InChIKeyHVEHMMGZNPOYLA-GFCCVEGCSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds5

About 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide

3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide (PubChem CID 164633668) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide
PubChem CID164633668
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide
SMILESCC(C)c1ccc(N2CCC[C@H](CCC(N)=O)C2)nn1
InChIInChI=1S/C15H24N4O/c1-11(2)13-6-8-15(18-17-13)19-9-3-4-12(10-19)5-7-14(16)20/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H2,16,20)/t12-/m1/s1
InChIKeyHVEHMMGZNPOYLA-GFCCVEGCSA-N
XLogP2.08
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide (CID 164633668) is 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide is CC(C)c1ccc(N2CCC[C@H](CCC(N)=O)C2)nn1.
What is the InChIKey of 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide?
The InChIKey is HVEHMMGZNPOYLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)13-6-8-15(18-17-13)19-9-3-4-12(10-19)5-7-14(16)20/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide?
3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 164633668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).