3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

C17H26N4O2 — CID 91911745

IUPAC3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(6-5-13-3-1-2-4-13)19-14-7-9-21(10-8-14)15-11-17(23)20-18-12-15/h11-14H,1-10H2,(H,19,22)(H,20,23)
InChIKeyYYAQTTRPYYROJX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.83
Rot. Bonds5

About 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 91911745) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID91911745
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(6-5-13-3-1-2-4-13)19-14-7-9-21(10-8-14)15-11-17(23)20-18-12-15/h11-14H,1-10H2,(H,19,22)(H,20,23)
InChIKeyYYAQTTRPYYROJX-UHFFFAOYSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (CID 91911745) is 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is O=C(CCC1CCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is YYAQTTRPYYROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(6-5-13-3-1-2-4-13)19-14-7-9-21(10-8-14)15-11-17(23)20-18-12-15/h11-14H,1-10H2,(H,19,22)(H,20,23).
What are the key properties of 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91911745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).