N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide

C14H22N4O2 — CID 110876551

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-13(19)16-11-5-7-17(8-6-11)12-9-14(20)18(4-2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeySKBHEKJAVOIBKN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.76
Rot. Bonds4

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 110876551) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID110876551
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-13(19)16-11-5-7-17(8-6-11)12-9-14(20)18(4-2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeySKBHEKJAVOIBKN-UHFFFAOYSA-N
XLogP0.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (CID 110876551) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is SKBHEKJAVOIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-13(19)16-11-5-7-17(8-6-11)12-9-14(20)18(4-2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110876551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).