1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone

C21H23N3O4 — CID 109160080

IUPAC1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)23-19-7-4-17(14-22-19)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13H2,1H3,(H,22,23)
InChIKeyDNAPDCRZGSHZQL-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone

1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone (PubChem CID 109160080) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
PubChem CID109160080
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)23-19-7-4-17(14-22-19)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13H2,1H3,(H,22,23)
InChIKeyDNAPDCRZGSHZQL-UHFFFAOYSA-N
XLogP3.01
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone with MolForge

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Related Compounds

[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
[6-(2,6-difluoroanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160098
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylanilino)pyrimidin-5-yl]methanone
CID 109261590
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone
CID 109285978
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone (CID 109160080) is 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1.
What is the InChIKey of 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
The InChIKey is DNAPDCRZGSHZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(25)16-2-5-18(6-3-16)23-19-7-4-17(14-22-19)20(26)24-10-8-21(9-11-24)27-12-13-28-21/h2-7,14H,8-13H2,1H3,(H,22,23).
What are the key properties of 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone?
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone has a molecular weight of 381.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109160080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).