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

C22H27N3O3 — CID 109215587

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCCCc2ccccc2)ccn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H27N3O3/c26-21(25-13-9-22(10-14-25)27-15-16-28-22)20-17-19(8-12-24-20)23-11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,17H,4,7,9-11,13-16H2,(H,23,24)
InChIKeyCAZJASNGRAWCMM-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.11
Rot. Bonds6

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone (PubChem CID 109215587) 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-[4-(3-phenylpropylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone
PubChem CID109215587
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCCCc2ccccc2)ccn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H27N3O3/c26-21(25-13-9-22(10-14-25)27-15-16-28-22)20-17-19(8-12-24-20)23-11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,17H,4,7,9-11,13-16H2,(H,23,24)
InChIKeyCAZJASNGRAWCMM-UHFFFAOYSA-N
XLogP3.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109352563
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109215610
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]benzoate
CID 109215649
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone (CID 109215587) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone is O=C(c1cc(NCCCc2ccccc2)ccn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone?
The InChIKey is CAZJASNGRAWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(25-13-9-22(10-14-25)27-15-16-28-22)20-17-19(8-12-24-20)23-11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,17H,4,7,9-11,13-16H2,(H,23,24).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.11, 6 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-[4-(3-phenylpropylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109215587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).