[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H29N5O3 — CID 46297909

IUPAC[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(C)c1ccc(N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-22(2)16-3-4-17(21-20-16)23-9-5-15(6-10-23)18(25)24-11-7-19(8-12-24)26-13-14-27-19/h3-4,15H,5-14H2,1-2H3
InChIKeyIDFVOPOYMVNLLZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.12
Rot. Bonds3

About [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 46297909) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID46297909
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(C)c1ccc(N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-22(2)16-3-4-17(21-20-16)23-9-5-15(6-10-23)18(25)24-11-7-19(8-12-24)26-13-14-27-19/h3-4,15H,5-14H2,1-2H3
InChIKeyIDFVOPOYMVNLLZ-UHFFFAOYSA-N
XLogP1.12
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 46297909) is [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CN(C)c1ccc(N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)nn1.
What is the InChIKey of [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is IDFVOPOYMVNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-22(2)16-3-4-17(21-20-16)23-9-5-15(6-10-23)18(25)24-11-7-19(8-12-24)26-13-14-27-19/h3-4,15H,5-14H2,1-2H3.
What are the key properties of [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 46297909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).