1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone

C16H22N2O2 — CID 135113916

IUPAC1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1
InChIInChI=1S/C16H22N2O2/c1-12(19)13-5-8-17-15(10-13)18-9-3-7-16(11-18)6-2-4-14(16)20/h5,8,10,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1
InChIKeyLZZUBKDHDXCACF-GDBMZVCRSA-N
MW274.36 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone

1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone (PubChem CID 135113916) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone
PubChem CID135113916
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1
InChIInChI=1S/C16H22N2O2/c1-12(19)13-5-8-17-15(10-13)18-9-3-7-16(11-18)6-2-4-14(16)20/h5,8,10,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1
InChIKeyLZZUBKDHDXCACF-GDBMZVCRSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone (CID 135113916) is 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone is CC(=O)c1ccnc(N2CCC[C@]3(CCC[C@H]3O)C2)c1.
What is the InChIKey of 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone?
The InChIKey is LZZUBKDHDXCACF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(19)13-5-8-17-15(10-13)18-9-3-7-16(11-18)6-2-4-14(16)20/h5,8,10,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1.
What are the key properties of 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone?
1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]ethanone is sourced from PubChem (CID 135113916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).