N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine

C17H26N4O — CID 146141193

IUPACN-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine
SMILESc1cnnc(N2CCC(NC3CCOC34CCCC4)CC2)c1
InChIInChI=1S/C17H26N4O/c1-2-9-17(8-1)15(7-13-22-17)19-14-5-11-21(12-6-14)16-4-3-10-18-20-16/h3-4,10,14-15,19H,1-2,5-9,11-13H2
InChIKeyKOCKLRMWYIIERS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.14
Rot. Bonds3

About N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine

N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 146141193) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID146141193
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine
SMILESc1cnnc(N2CCC(NC3CCOC34CCCC4)CC2)c1
InChIInChI=1S/C17H26N4O/c1-2-9-17(8-1)15(7-13-22-17)19-14-5-11-21(12-6-14)16-4-3-10-18-20-16/h3-4,10,14-15,19H,1-2,5-9,11-13H2
InChIKeyKOCKLRMWYIIERS-UHFFFAOYSA-N
XLogP2.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine (CID 146141193) is N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine is c1cnnc(N2CCC(NC3CCOC34CCCC4)CC2)c1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is KOCKLRMWYIIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-9-17(8-1)15(7-13-22-17)19-14-5-11-21(12-6-14)16-4-3-10-18-20-16/h3-4,10,14-15,19H,1-2,5-9,11-13H2.
What are the key properties of N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine?
N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 146141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).