9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H22FN3O2 — CID 97451051

IUPAC9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3cccc(F)c3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C20H22FN3O2/c21-16-4-3-6-18(12-16)23-10-7-20(8-11-23)15-24(19(25)14-26-20)13-17-5-1-2-9-22-17/h1-6,9,12H,7-8,10-11,13-15H2
InChIKeyHFOFSILGBMMFEB-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.62
Rot. Bonds3

About 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451051) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451051
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3cccc(F)c3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C20H22FN3O2/c21-16-4-3-6-18(12-16)23-10-7-20(8-11-23)15-24(19(25)14-26-20)13-17-5-1-2-9-22-17/h1-6,9,12H,7-8,10-11,13-15H2
InChIKeyHFOFSILGBMMFEB-UHFFFAOYSA-N
XLogP2.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451062
9-(5-methylpyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155839264
4-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;tris(2,2,2-trifluoroacetic acid)
CID 155840249
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
9-(pyridine-4-carbonyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155829047
9-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854041
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 171696964
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986230
4-(3-fluorophenyl)-9-(2-methylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985831
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451051) is 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3cccc(F)c3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HFOFSILGBMMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-4-3-6-18(12-16)23-10-7-20(8-11-23)15-24(19(25)14-26-20)13-17-5-1-2-9-22-17/h1-6,9,12H,7-8,10-11,13-15H2.
What are the key properties of 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).