[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone

C19H27N3O3 — CID 164694880

IUPAC[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1)N1CCOCC1
InChIInChI=1S/C19H27N3O3/c23-16-3-1-5-19(16)6-2-8-22(14-19)17-13-15(4-7-20-17)18(24)21-9-11-25-12-10-21/h4,7,13,16,23H,1-3,5-6,8-12,14H2/t16-,19-/m1/s1
InChIKeyUOWYBGGIPTYENR-VQIMIIECSA-N
MW345.44 g/mol
LogP1.69
Rot. Bonds2

About [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone

[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 164694880) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID164694880
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1)N1CCOCC1
InChIInChI=1S/C19H27N3O3/c23-16-3-1-5-19(16)6-2-8-22(14-19)17-13-15(4-7-20-17)18(24)21-9-11-25-12-10-21/h4,7,13,16,23H,1-3,5-6,8-12,14H2/t16-,19-/m1/s1
InChIKeyUOWYBGGIPTYENR-VQIMIIECSA-N
XLogP1.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone (CID 164694880) is [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1)N1CCOCC1.
What is the InChIKey of [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UOWYBGGIPTYENR-VQIMIIECSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-16-3-1-5-19(16)6-2-8-22(14-19)17-13-15(4-7-20-17)18(24)21-9-11-25-12-10-21/h4,7,13,16,23H,1-3,5-6,8-12,14H2/t16-,19-/m1/s1.
What are the key properties of [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone?
[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 345.44 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164694880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).