9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one

C17H25N3O3 — CID 136563839

IUPAC9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
SMILESCCOc1cccc(CN2CCC3(CC2)CC(O)CNC3=O)n1
InChIInChI=1S/C17H25N3O3/c1-2-23-15-5-3-4-13(19-15)12-20-8-6-17(7-9-20)10-14(21)11-18-16(17)22/h3-5,14,21H,2,6-12H2,1H3,(H,18,22)
InChIKeyOHCAEMXXWPSMKE-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.94
Rot. Bonds4

About 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one

9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 136563839) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID136563839
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
SMILESCCOc1cccc(CN2CCC3(CC2)CC(O)CNC3=O)n1
InChIInChI=1S/C17H25N3O3/c1-2-23-15-5-3-4-13(19-15)12-20-8-6-17(7-9-20)10-14(21)11-18-16(17)22/h3-5,14,21H,2,6-12H2,1H3,(H,18,22)
InChIKeyOHCAEMXXWPSMKE-UHFFFAOYSA-N
XLogP0.94
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidine-2,5-dione
CID 84600686
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 63987109
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
2-ethoxy-6-ethylpyridine
CID 58662042
4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
CID 126824791
4-hydroxy-9-(5-propan-2-yl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 136566068
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476427
4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 154849837

Frequently Asked Questions

What is the IUPAC name of 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one (CID 136563839) is 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one is CCOc1cccc(CN2CCC3(CC2)CC(O)CNC3=O)n1.
What is the InChIKey of 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is OHCAEMXXWPSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-15-5-3-4-13(19-15)12-20-8-6-17(7-9-20)10-14(21)11-18-16(17)22/h3-5,14,21H,2,6-12H2,1H3,(H,18,22).
What are the key properties of 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one?
9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 319.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 136563839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).