3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C19H27N3O2 — CID 124954084

IUPAC3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C19H27N3O2/c1-21-12-6-7-15(13-21)16-8-5-9-17(20-16)22-14-19(24-18(22)23)10-3-2-4-11-19/h5,8-9,15H,2-4,6-7,10-14H2,1H3/t15-/m0/s1
InChIKeyDZXWBBBBKKOZNX-HNNXBMFYSA-N
MW329.44 g/mol
LogP3.55
Rot. Bonds2

About 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 124954084) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID124954084
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C19H27N3O2/c1-21-12-6-7-15(13-21)16-8-5-9-17(20-16)22-14-19(24-18(22)23)10-3-2-4-11-19/h5,8-9,15H,2-4,6-7,10-14H2,1H3/t15-/m0/s1
InChIKeyDZXWBBBBKKOZNX-HNNXBMFYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099118
3-[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 124973460
3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 125020131
3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099085
3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099016
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
3-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110096500
3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098976
3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099221
3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 124962635
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
2-[(3S)-1-methylpiperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124641610

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 124954084) is 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one is CN1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is DZXWBBBBKKOZNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-12-6-7-15(13-21)16-8-5-9-17(20-16)22-14-19(24-18(22)23)10-3-2-4-11-19/h5,8-9,15H,2-4,6-7,10-14H2,1H3/t15-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124954084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).