3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C19H25N3O4 — CID 110099118

IUPAC3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1
InChIInChI=1S/C19H25N3O4/c1-14(23)21-9-3-4-15(12-21)16-5-2-6-17(20-16)22-13-19(26-18(22)24)7-10-25-11-8-19/h2,5-6,15H,3-4,7-13H2,1H3
InChIKeyIXQFQLOEWXBYTR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.31
Rot. Bonds2

About 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099118) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099118
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1
InChIInChI=1S/C19H25N3O4/c1-14(23)21-9-3-4-15(12-21)16-5-2-6-17(20-16)22-13-19(26-18(22)24)7-10-25-11-8-19/h2,5-6,15H,3-4,7-13H2,1H3
InChIKeyIXQFQLOEWXBYTR-UHFFFAOYSA-N
XLogP2.31
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 110099118) is 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is CC(=O)N1CCCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is IXQFQLOEWXBYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14(23)21-9-3-4-15(12-21)16-5-2-6-17(20-16)22-13-19(26-18(22)24)7-10-25-11-8-19/h2,5-6,15H,3-4,7-13H2,1H3.
What are the key properties of 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-acetylpiperidin-3-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).