N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide

C17H28N4O2 — CID 91924056

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-5-21-16(23)10-14(12-18-21)20-8-6-13(7-9-20)19-15(22)11-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyRPXOTHWSQDJXIB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.78
Rot. Bonds4

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 91924056) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID91924056
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-5-21-16(23)10-14(12-18-21)20-8-6-13(7-9-20)19-15(22)11-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyRPXOTHWSQDJXIB-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.78
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 91924056) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide is CCn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is RPXOTHWSQDJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21-16(23)10-14(12-18-21)20-8-6-13(7-9-20)19-15(22)11-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 320.44 g/mol, XLogP of 1.78, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 91924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).