3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one

C22H28N4O3 — CID 175641768

IUPAC3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCC(O)CC2)CC12CCN(c1nccc3ncccc13)CC2
InChIInChI=1S/C22H28N4O3/c27-16-4-10-25(11-5-16)15-17-14-22(21(28)29-17)6-12-26(13-7-22)20-18-2-1-8-23-19(18)3-9-24-20/h1-3,8-9,16-17,27H,4-7,10-15H2
InChIKeyFQIQUOKLBQVZJX-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.99
Rot. Bonds3

About 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 175641768) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID175641768
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCC(O)CC2)CC12CCN(c1nccc3ncccc13)CC2
InChIInChI=1S/C22H28N4O3/c27-16-4-10-25(11-5-16)15-17-14-22(21(28)29-17)6-12-26(13-7-22)20-18-2-1-8-23-19(18)3-9-24-20/h1-3,8-9,16-17,27H,4-7,10-15H2
InChIKeyFQIQUOKLBQVZJX-UHFFFAOYSA-N
XLogP1.99
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 175641768) is 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one is O=C1OC(CN2CCC(O)CC2)CC12CCN(c1nccc3ncccc13)CC2.
What is the InChIKey of 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is FQIQUOKLBQVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-16-4-10-25(11-5-16)15-17-14-22(21(28)29-17)6-12-26(13-7-22)20-18-2-1-8-23-19(18)3-9-24-20/h1-3,8-9,16-17,27H,4-7,10-15H2.
What are the key properties of 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 396.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 175641768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).