4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

C14H22N4O2 — CID 56778538

IUPAC4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCOCCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-3-5-14(19)18-9-6-12(7-10-18)16-13-4-2-8-15-17-13/h2,4,8,12H,3,5-7,9-11H2,1H3,(H,16,17)
InChIKeyFPEVRHUUDXQHMJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.31
Rot. Bonds6

About 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (PubChem CID 56778538) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
PubChem CID56778538
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCOCCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-3-5-14(19)18-9-6-12(7-10-18)16-13-4-2-8-15-17-13/h2,4,8,12H,3,5-7,9-11H2,1H3,(H,16,17)
InChIKeyFPEVRHUUDXQHMJ-UHFFFAOYSA-N
XLogP1.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (CID 56778538) is 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is COCCCC(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The InChIKey is FPEVRHUUDXQHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-11-3-5-14(19)18-9-6-12(7-10-18)16-13-4-2-8-15-17-13/h2,4,8,12H,3,5-7,9-11H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one has a molecular weight of 278.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56778538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).