9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C21H29FN2O2 — CID 70771163

IUPAC9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(CCCOc1ccc(F)cc1)CC2
InChIInChI=1S/C21H29FN2O2/c1-2-12-24-17-21(9-8-20(24)25)10-14-23(15-11-21)13-3-16-26-19-6-4-18(22)5-7-19/h2,4-7H,1,3,8-17H2
InChIKeyFUXNFKVEOUZSIL-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.49
Rot. Bonds7

About 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70771163) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70771163
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(CCCOc1ccc(F)cc1)CC2
InChIInChI=1S/C21H29FN2O2/c1-2-12-24-17-21(9-8-20(24)25)10-14-23(15-11-21)13-3-16-26-19-6-4-18(22)5-7-19/h2,4-7H,1,3,8-17H2
InChIKeyFUXNFKVEOUZSIL-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2-chloro-4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70753366
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97149071
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
9-[2-(4-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97141984
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
CID 70734421
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70771163) is 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(CCCOc1ccc(F)cc1)CC2.
What is the InChIKey of 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FUXNFKVEOUZSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-2-12-24-17-21(9-8-20(24)25)10-14-23(15-11-21)13-3-16-26-19-6-4-18(22)5-7-19/h2,4-7H,1,3,8-17H2.
What are the key properties of 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70771163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).