2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

C14H22N4O2 — CID 110876541

IUPAC2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)16-10-4-6-18(7-5-10)11-8-12(19)17-15-9-11/h8-10H,4-7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyBSPVIHJDZUSFCO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.90
Rot. Bonds2

About 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 110876541) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID110876541
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)16-10-4-6-18(7-5-10)11-8-12(19)17-15-9-11/h8-10H,4-7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyBSPVIHJDZUSFCO-UHFFFAOYSA-N
XLogP0.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (CID 110876541) is 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is BSPVIHJDZUSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(20)16-10-4-6-18(7-5-10)11-8-12(19)17-15-9-11/h8-10H,4-7H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110876541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).