N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide

C16H24N4O2 — CID 95826705

IUPACN-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(c2cccnn2)CC1)NC1CCOCC1
InChIInChI=1S/C16H24N4O2/c21-16(18-14-5-10-22-11-6-14)12-13-3-8-20(9-4-13)15-2-1-7-17-19-15/h1-2,7,13-14H,3-6,8-12H2,(H,18,21)
InChIKeyMAGCRTHLHNLQLR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds4

About N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide

N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide (PubChem CID 95826705) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
PubChem CID95826705
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(c2cccnn2)CC1)NC1CCOCC1
InChIInChI=1S/C16H24N4O2/c21-16(18-14-5-10-22-11-6-14)12-13-3-8-20(9-4-13)15-2-1-7-17-19-15/h1-2,7,13-14H,3-6,8-12H2,(H,18,21)
InChIKeyMAGCRTHLHNLQLR-UHFFFAOYSA-N
XLogP1.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide (CID 95826705) is N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide is O=C(CC1CCN(c2cccnn2)CC1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The InChIKey is MAGCRTHLHNLQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(18-14-5-10-22-11-6-14)12-13-3-8-20(9-4-13)15-2-1-7-17-19-15/h1-2,7,13-14H,3-6,8-12H2,(H,18,21).
What are the key properties of N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95826705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).