3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide

C14H22N4O2 — CID 110876538

IUPAC3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)7-13(19)16-11-3-5-18(6-4-11)12-8-14(20)17-15-9-12/h8-11H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYISIPGOBHMKMKT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.90
Rot. Bonds4

About 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide

3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 110876538) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID110876538
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)7-13(19)16-11-3-5-18(6-4-11)12-8-14(20)17-15-9-12/h8-11H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYISIPGOBHMKMKT-UHFFFAOYSA-N
XLogP0.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide (CID 110876538) is 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide is CC(C)CC(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is YISIPGOBHMKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)7-13(19)16-11-3-5-18(6-4-11)12-8-14(20)17-15-9-12/h8-11H,3-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide?
3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 110876538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).