1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one

C22H27N3O2 — CID 174373482

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one
SMILESCC(NC(O)c1ccc(-c2ccccc2)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H27N3O2/c1-16(21(27)25-13-11-22(9-10-22)12-14-25)24-20(26)18-7-8-19(23-15-18)17-5-3-2-4-6-17/h2-8,15-16,20,24,26H,9-14H2,1H3
InChIKeyHKOGQLUDUUHMSI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.12
Rot. Bonds5

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one

1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one (PubChem CID 174373482) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one
PubChem CID174373482
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one
SMILESCC(NC(O)c1ccc(-c2ccccc2)nc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C22H27N3O2/c1-16(21(27)25-13-11-22(9-10-22)12-14-25)24-20(26)18-7-8-19(23-15-18)17-5-3-2-4-6-17/h2-8,15-16,20,24,26H,9-14H2,1H3
InChIKeyHKOGQLUDUUHMSI-UHFFFAOYSA-N
XLogP3.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one (CID 174373482) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one is CC(NC(O)c1ccc(-c2ccccc2)nc1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one?
The InChIKey is HKOGQLUDUUHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(21(27)25-13-11-22(9-10-22)12-14-25)24-20(26)18-7-8-19(23-15-18)17-5-3-2-4-6-17/h2-8,15-16,20,24,26H,9-14H2,1H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one has a molecular weight of 365.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one is sourced from PubChem (CID 174373482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).