10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one

C21H23FN4O2 — CID 146066928

IUPAC10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESO=C1CCN(Cc2cccc(F)c2)CC2(CCN(C(=O)c3ccncc3)C2)N1
InChIInChI=1S/C21H23FN4O2/c22-18-3-1-2-16(12-18)13-25-10-6-19(27)24-21(14-25)7-11-26(15-21)20(28)17-4-8-23-9-5-17/h1-5,8-9,12H,6-7,10-11,13-15H2,(H,24,27)
InChIKeyGTVHFIWNXJQTKJ-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.83
Rot. Bonds3

About 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one

10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one (PubChem CID 146066928) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one
PubChem CID146066928
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESO=C1CCN(Cc2cccc(F)c2)CC2(CCN(C(=O)c3ccncc3)C2)N1
InChIInChI=1S/C21H23FN4O2/c22-18-3-1-2-16(12-18)13-25-10-6-19(27)24-21(14-25)7-11-26(15-21)20(28)17-4-8-23-9-5-17/h1-5,8-9,12H,6-7,10-11,13-15H2,(H,24,27)
InChIKeyGTVHFIWNXJQTKJ-UHFFFAOYSA-N
XLogP1.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazole-4-carbonyl)-10-[(3-fluorophenyl)methyl]-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066947
2-(1-ethylpyrazole-3-carbonyl)-10-[(3-fluorophenyl)methyl]-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146067133
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
(1S)-8-(4-fluorobenzoyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 164636487
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
CID 91012833
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one (CID 146066928) is 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one is O=C1CCN(Cc2cccc(F)c2)CC2(CCN(C(=O)c3ccncc3)C2)N1.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one?
The InChIKey is GTVHFIWNXJQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-18-3-1-2-16(12-18)13-25-10-6-19(27)24-21(14-25)7-11-26(15-21)20(28)17-4-8-23-9-5-17/h1-5,8-9,12H,6-7,10-11,13-15H2,(H,24,27).
What are the key properties of 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one?
10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one has a molecular weight of 382.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2-(pyridine-4-carbonyl)-2,6,10-triazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).