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

C13H15ClN2O3 — CID 78995303

IUPAC(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15ClN2O3/c14-10-1-2-11(15-9-10)12(17)16-5-3-13(4-6-16)18-7-8-19-13/h1-2,9H,3-8H2
InChIKeyICDQDAQLYQHMQU-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.71
Rot. Bonds1

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

(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 78995303) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID78995303
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15ClN2O3/c14-10-1-2-11(15-9-10)12(17)16-5-3-13(4-6-16)18-7-8-19-13/h1-2,9H,3-8H2
InChIKeyICDQDAQLYQHMQU-UHFFFAOYSA-N
XLogP1.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chloroanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193844
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109190085
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carbonitrile
CID 78950104
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 109187377
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
[5-(2,6-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193827
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 78995303) is (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(Cl)cn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is ICDQDAQLYQHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-1-2-11(15-9-10)12(17)16-5-3-13(4-6-16)18-7-8-19-13/h1-2,9H,3-8H2.
What are the key properties of (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 282.73 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 78995303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).