1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone

C22H27N3O4 — CID 109172902

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
SMILESCOc1cccc(CCNc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)c1
InChIInChI=1S/C22H27N3O4/c1-27-19-4-2-3-17(15-19)5-9-23-20-16-18(6-10-24-20)21(26)25-11-7-22(8-12-25)28-13-14-29-22/h2-4,6,10,15-16H,5,7-9,11-14H2,1H3,(H,23,24)
InChIKeyKPGARJYGNXIMHR-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.72
Rot. Bonds6

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone (PubChem CID 109172902) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
PubChem CID109172902
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
SMILESCOc1cccc(CCNc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)c1
InChIInChI=1S/C22H27N3O4/c1-27-19-4-2-3-17(15-19)5-9-23-20-16-18(6-10-24-20)21(26)25-11-7-22(8-12-25)28-13-14-29-22/h2-4,6,10,15-16H,5,7-9,11-14H2,1H3,(H,23,24)
InChIKeyKPGARJYGNXIMHR-UHFFFAOYSA-N
XLogP2.72
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methoxyanilino)pyrimidin-5-yl]methanone
CID 109261611
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109169233
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone (CID 109172902) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone is COc1cccc(CCNc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)c1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone?
The InChIKey is KPGARJYGNXIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-19-4-2-3-17(15-19)5-9-23-20-16-18(6-10-24-20)21(26)25-11-7-22(8-12-25)28-13-14-29-22/h2-4,6,10,15-16H,5,7-9,11-14H2,1H3,(H,23,24).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone has a molecular weight of 397.48 g/mol, XLogP of 2.72, 6 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-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 109172902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).