2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide

C18H30N4O2 — CID 91907045

IUPAC2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1
InChIInChI=1S/C18H30N4O2/c1-4-15(5-2)20-17(23)10-14-8-7-9-21(13-14)16-11-18(24)22(6-3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3,(H,20,23)
InChIKeySVRRWLWDOOBFMM-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.17
Rot. Bonds7

About 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide

2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide (PubChem CID 91907045) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide
PubChem CID91907045
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1
InChIInChI=1S/C18H30N4O2/c1-4-15(5-2)20-17(23)10-14-8-7-9-21(13-14)16-11-18(24)22(6-3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3,(H,20,23)
InChIKeySVRRWLWDOOBFMM-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide (CID 91907045) is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1.
What is the InChIKey of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide?
The InChIKey is SVRRWLWDOOBFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-15(5-2)20-17(23)10-14-8-7-9-21(13-14)16-11-18(24)22(6-3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide?
2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide has a molecular weight of 334.46 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 91907045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).