3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C21H22FN3O3 — CID 11993376

IUPAC3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2
InChIInChI=1S/C21H22FN3O3/c22-17-7-4-8-18(13-17)23-19(26)24-11-9-21(10-12-24)15-25(20(27)28-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,23,26)
InChIKeyJNCHBNORQMOINW-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.84
Rot. Bonds3

About 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 11993376) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID11993376
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2
InChIInChI=1S/C21H22FN3O3/c22-17-7-4-8-18(13-17)23-19(26)24-11-9-21(10-12-24)15-25(20(27)28-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,23,26)
InChIKeyJNCHBNORQMOINW-UHFFFAOYSA-N
XLogP3.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316
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CID 6465310
N-(1-benzyl-4-piperidinyl)-N'-(3-fluorophenyl)urea
CID 6471104
1-Benzyl-3-(3,4-difluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711224
1-Benzyl-3-(3-fluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711332
4-(4-fluorophenyl)-N-phenyl-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 2980777
3-(2-fluorobenzyl)-N-phenyltetrahydropyrimidine-1(2H)-carboxamide
CID 3244711
N-(3-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3595370
N-(2,5-difluorophenyl)-N'-{[1-(4-fluorobenzyl)piperidin-4-yl]methyl}urea
CID 23609261
3-Phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 155528829
N-(2,4-difluorophenyl)-4-phenethyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2810464
tert-butyl 4-{[(2-toluidinocarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810650

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 11993376) is 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is O=C(Nc1cccc(F)c1)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2.
What is the InChIKey of 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is JNCHBNORQMOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-17-7-4-8-18(13-17)23-19(26)24-11-9-21(10-12-24)15-25(20(27)28-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,23,26).
What are the key properties of 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 11993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).