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

C15H24N4O2 — CID 110876543

IUPAC3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)8-14(20)17-12-4-6-19(7-5-12)13-9-15(21)18(3)16-10-13/h9-12H,4-8H2,1-3H3,(H,17,20)
InChIKeyMRSFSEGSOHVPFC-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.91
Rot. Bonds4

About 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 110876543) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID110876543
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)8-14(20)17-12-4-6-19(7-5-12)13-9-15(21)18(3)16-10-13/h9-12H,4-8H2,1-3H3,(H,17,20)
InChIKeyMRSFSEGSOHVPFC-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 110876543) is 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is CC(C)CC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is MRSFSEGSOHVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)8-14(20)17-12-4-6-19(7-5-12)13-9-15(21)18(3)16-10-13/h9-12H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 110876543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).