2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide

C16H26N4O3 — CID 70726045

IUPAC2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCC(OC)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O3/c1-4-14(23-3)16(22)17-10-12-5-7-20(8-6-12)13-9-15(21)19(2)18-11-13/h9,11-12,14H,4-8,10H2,1-3H3,(H,17,22)
InChIKeyWXZZHJQEFDHIRM-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.54
Rot. Bonds6

About 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide

2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide (PubChem CID 70726045) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
PubChem CID70726045
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCC(OC)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O3/c1-4-14(23-3)16(22)17-10-12-5-7-20(8-6-12)13-9-15(21)19(2)18-11-13/h9,11-12,14H,4-8,10H2,1-3H3,(H,17,22)
InChIKeyWXZZHJQEFDHIRM-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide (CID 70726045) is 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide is CCC(OC)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The InChIKey is WXZZHJQEFDHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-14(23-3)16(22)17-10-12-5-7-20(8-6-12)13-9-15(21)19(2)18-11-13/h9,11-12,14H,4-8,10H2,1-3H3,(H,17,22).
What are the key properties of 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 70726045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).