1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone

C22H27N3O3 — CID 109173981

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
SMILESCC(C)c1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)17-3-5-19(6-4-17)24-20-15-18(7-10-23-20)21(26)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,23,24)
InChIKeyRPOQVOPRPVOVSZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.93
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone (PubChem CID 109173981) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
PubChem CID109173981
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
SMILESCC(C)c1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)17-3-5-19(6-4-17)24-20-15-18(7-10-23-20)21(26)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,23,24)
InChIKeyRPOQVOPRPVOVSZ-UHFFFAOYSA-N
XLogP3.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
CID 109174019
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]benzoate
CID 109215649
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
CID 109286005

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone (CID 109173981) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone is CC(C)c1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone?
The InChIKey is RPOQVOPRPVOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)17-3-5-19(6-4-17)24-20-15-18(7-10-23-20)21(26)25-11-8-22(9-12-25)27-13-14-28-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,23,24).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109173981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).