2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H28FN3O — CID 97449566

IUPAC2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H28FN3O/c1-21(2)14-18(24)23-11-8-19(15-23)6-9-22(10-7-19)13-16-4-3-5-17(20)12-16/h3-5,12H,6-11,13-15H2,1-2H3
InChIKeyIGKDQXGNMLMYNI-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.20
Rot. Bonds4

About 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 97449566) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID97449566
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H28FN3O/c1-21(2)14-18(24)23-11-8-19(15-23)6-9-22(10-7-19)13-16-4-3-5-17(20)12-16/h3-5,12H,6-11,13-15H2,1-2H3
InChIKeyIGKDQXGNMLMYNI-UHFFFAOYSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 4963907
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CID 6464809
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CID 121446659
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CID 121446757
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CID 121446778
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 97449566) is 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CN(C)CC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is IGKDQXGNMLMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-21(2)14-18(24)23-11-8-19(15-23)6-9-22(10-7-19)13-16-4-3-5-17(20)12-16/h3-5,12H,6-11,13-15H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 333.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 97449566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).