1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide

C17H22FN3O2 — CID 97450559

IUPAC1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-4-1-3-13(11-14)12-21-15(22)5-2-6-17(21)7-9-20(10-8-17)16(19)23/h1,3-4,11H,2,5-10,12H2,(H2,19,23)
InChIKeyXLXFRJYUEJBJED-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.25
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide

1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97450559) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97450559
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-4-1-3-13(11-14)12-21-15(22)5-2-6-17(21)7-9-20(10-8-17)16(19)23/h1,3-4,11H,2,5-10,12H2,(H2,19,23)
InChIKeyXLXFRJYUEJBJED-UHFFFAOYSA-N
XLogP2.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97397475
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131691590
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97450559) is 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide is NC(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is XLXFRJYUEJBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-4-1-3-13(11-14)12-21-15(22)5-2-6-17(21)7-9-20(10-8-17)16(19)23/h1,3-4,11H,2,5-10,12H2,(H2,19,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide?
1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).