1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one

C18H24FN3O2 — CID 131684170

IUPAC1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CCC12CCCN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C18H24FN3O2/c1-2-22-16(23)6-8-18(22)7-3-10-21(11-9-18)17(24)12-15-5-4-14(19)13-20-15/h4-5,13H,2-3,6-12H2,1H3
InChIKeyWMQAPKAODXODFK-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.16
Rot. Bonds3

About 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one

1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131684170) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131684170
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CCC12CCCN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C18H24FN3O2/c1-2-22-16(23)6-8-18(22)7-3-10-21(11-9-18)17(24)12-15-5-4-14(19)13-20-15/h4-5,13H,2-3,6-12H2,1H3
InChIKeyWMQAPKAODXODFK-UHFFFAOYSA-N
XLogP2.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131682056
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
9-[2-(5-fluoro-2-pyridinyl)acetyl]-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131683642
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
2-(5-fluoro-2-pyridinyl)-1-(4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131683785
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 131683888
N-[[6-[2-(5-fluoro-2-pyridinyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide
CID 131682104
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131684170) is 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one is CCN1C(=O)CCC12CCCN(C(=O)Cc1ccc(F)cn1)CC2.
What is the InChIKey of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is WMQAPKAODXODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-2-22-16(23)6-8-18(22)7-3-10-21(11-9-18)17(24)12-15-5-4-14(19)13-20-15/h4-5,13H,2-3,6-12H2,1H3.
What are the key properties of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one?
1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131684170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).