1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone

C18H25N3O4 — CID 109228952

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCC2CCCO2)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N3O4/c22-17(21-5-3-18(4-6-21)24-8-9-25-18)14-10-15(12-19-11-14)20-13-16-2-1-7-23-16/h10-12,16,20H,1-9,13H2
InChIKeyKRZXGOOFCZWRFJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.65
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109228952) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109228952
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCC2CCCO2)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N3O4/c22-17(21-5-3-18(4-6-21)24-8-9-25-18)14-10-15(12-19-11-14)20-13-16-2-1-7-23-16/h10-12,16,20H,1-9,13H2
InChIKeyKRZXGOOFCZWRFJ-UHFFFAOYSA-N
XLogP1.65
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109233896
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(1-phenylethylamino)-3-pyridinyl]methanone
CID 109232907
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109106627
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
CID 104532738
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109237999
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229049
9-(5-chloropyridine-3-carbonyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911101
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone (CID 109228952) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCC2CCCO2)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is KRZXGOOFCZWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-17(21-5-3-18(4-6-21)24-8-9-25-18)14-10-15(12-19-11-14)20-13-16-2-1-7-23-16/h10-12,16,20H,1-9,13H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 347.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109228952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).