2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C24H29FN2O2 — CID 131662022

IUPAC2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C24H29FN2O2/c25-21-9-7-20(8-10-21)17-23(28)27-14-12-24(19-27)11-4-13-26(18-24)15-16-29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-19H2
InChIKeyDHXZHRLSRDTDQR-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 131662022) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID131662022
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C24H29FN2O2/c25-21-9-7-20(8-10-21)17-23(28)27-14-12-24(19-27)11-4-13-26(18-24)15-16-29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-19H2
InChIKeyDHXZHRLSRDTDQR-UHFFFAOYSA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 131655214
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
1-[(5R)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-phenoxypropan-1-one
CID 42358037
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
9-(2-phenoxyethyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155827464
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809
1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
CID 56895188

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 131662022) is 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is DHXZHRLSRDTDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-21-9-7-20(8-10-21)17-23(28)27-14-12-24(19-27)11-4-13-26(18-24)15-16-29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-19H2.
What are the key properties of 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 396.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 131662022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).