2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide

C18H30N4O3 — CID 91917515

IUPAC2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CCOC)c(=O)c2)C1
InChIInChI=1S/C18H30N4O3/c1-4-7-20(2)17(23)11-15-6-5-8-21(14-15)16-12-18(24)22(19-13-16)9-10-25-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyLXQQWVNDCKADEZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.36
Rot. Bonds8

About 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide

2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide (PubChem CID 91917515) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
PubChem CID91917515
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CCOC)c(=O)c2)C1
InChIInChI=1S/C18H30N4O3/c1-4-7-20(2)17(23)11-15-6-5-8-21(14-15)16-12-18(24)22(19-13-16)9-10-25-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyLXQQWVNDCKADEZ-UHFFFAOYSA-N
XLogP1.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide (CID 91917515) is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC1CCCN(c2cnn(CCOC)c(=O)c2)C1.
What is the InChIKey of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The InChIKey is LXQQWVNDCKADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-7-20(2)17(23)11-15-6-5-8-21(14-15)16-12-18(24)22(19-13-16)9-10-25-3/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide has a molecular weight of 350.46 g/mol, XLogP of 1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 91917515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).