[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea

C17H22FN3O2 — CID 97397475

IUPAC[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
SMILESNC(=O)NC1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)11-21-15(22)6-9-17(21)7-4-14(5-8-17)20-16(19)23/h1-3,10,14H,4-9,11H2,(H3,19,20,23)
InChIKeyBXQMLQMHVVPVNZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.30
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea

[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea (PubChem CID 97397475) 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-azaspiro[4.5]decan-8-yl]urea.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
PubChem CID97397475
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
SMILESNC(=O)NC1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)11-21-15(22)6-9-17(21)7-4-14(5-8-17)20-16(19)23/h1-3,10,14H,4-9,11H2,(H3,19,20,23)
InChIKeyBXQMLQMHVVPVNZ-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450559
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 131691194
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131691590
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea (CID 97397475) is [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea is NC(=O)NC1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
The InChIKey is BXQMLQMHVVPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)11-21-15(22)6-9-17(21)7-4-14(5-8-17)20-16(19)23/h1-3,10,14H,4-9,11H2,(H3,19,20,23).
What are the key properties of [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea?
[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea has a molecular weight of 319.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea is sourced from PubChem (CID 97397475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).