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

C17H23N3O3 — CID 110099156

IUPAC3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cc(C2CCCNC2)ccn1
InChIInChI=1S/C17H23N3O3/c21-16-20(12-17(23-16)4-8-22-9-5-17)15-10-13(3-7-19-15)14-2-1-6-18-11-14/h3,7,10,14,18H,1-2,4-6,8-9,11-12H2
InChIKeyXCAKIPYMVYTEAW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.05
Rot. Bonds2

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

3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099156) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099156
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cc(C2CCCNC2)ccn1
InChIInChI=1S/C17H23N3O3/c21-16-20(12-17(23-16)4-8-22-9-5-17)15-10-13(3-7-19-15)14-2-1-6-18-11-14/h3,7,10,14,18H,1-2,4-6,8-9,11-12H2
InChIKeyXCAKIPYMVYTEAW-UHFFFAOYSA-N
XLogP2.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099020
3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 124946066
3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 124997263
3-[4-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 124976310
3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099118
3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099085
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
3-(6-piperidin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 73439950
3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099223
2-(2-oxo-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
CID 25073188
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 141312567

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 110099156) is 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCOCC2)CN1c1cc(C2CCCNC2)ccn1.
What is the InChIKey of 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is XCAKIPYMVYTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16-20(12-17(23-16)4-8-22-9-5-17)15-10-13(3-7-19-15)14-2-1-6-18-11-14/h3,7,10,14,18H,1-2,4-6,8-9,11-12H2.
What are the key properties of 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-3-yl-2-pyridinyl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).