N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide

C19H24N4O2 — CID 91911740

IUPACN-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)21-15-8-10-23(11-9-15)16-12-18(24)22-20-13-16/h3-7,12-13,15,17H,2,8-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyBANAPQWEHOGTFW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.05
Rot. Bonds5

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

N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide (PubChem CID 91911740) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide
PubChem CID91911740
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)21-15-8-10-23(11-9-15)16-12-18(24)22-20-13-16/h3-7,12-13,15,17H,2,8-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyBANAPQWEHOGTFW-UHFFFAOYSA-N
XLogP2.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide?
The IUPAC name of N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide (CID 91911740) is N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide is CCC(C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide?
The InChIKey is BANAPQWEHOGTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)21-15-8-10-23(11-9-15)16-12-18(24)22-20-13-16/h3-7,12-13,15,17H,2,8-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide?
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide has a molecular weight of 340.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 91911740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).