8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone

C15H19ClN2O — CID 81226318

IUPAC8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19ClN2O/c16-13-3-8-17-11-12(13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2
InChIKeyGXKFQZSRLOWOTA-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.53
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone

8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone (PubChem CID 81226318) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
PubChem CID81226318
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19ClN2O/c16-13-3-8-17-11-12(13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2
InChIKeyGXKFQZSRLOWOTA-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-chloro-3-pyridinyl)methanone
CID 81232865
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
(6-amino-3-chloro-2-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162057
8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 63162277
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone (CID 81226318) is 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone is O=C(c1cnccc1Cl)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone?
The InChIKey is GXKFQZSRLOWOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-3-8-17-11-12(13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone?
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone has a molecular weight of 278.78 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 81226318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).