(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

C17H23FN2O — CID 62938056

IUPAC(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C17H23FN2O/c18-15-5-4-13(19)12-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,19H2
InChIKeyPNQUEVGFQNYQOO-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.59
Rot. Bonds1

About (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 62938056) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID62938056
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C17H23FN2O/c18-15-5-4-13(19)12-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,19H2
InChIKeyPNQUEVGFQNYQOO-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255
(2-amino-3-fluoro-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 105386193
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (CID 62938056) is (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is Nc1ccc(F)c(C(=O)N2CCC3(CCCCC3)CC2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is PNQUEVGFQNYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-5-4-13(19)12-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11,19H2.
What are the key properties of (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 62938056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).