6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C24H27FN2O3 — CID 146066809

IUPAC6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(CCc1ccccc1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C24H27FN2O3/c25-21-9-6-20(7-10-21)16-27-23(29)12-14-26(17-24(27)13-15-30-18-24)22(28)11-8-19-4-2-1-3-5-19/h1-7,9-10H,8,11-18H2
InChIKeyFCHDANABFHFYNP-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.18
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066809) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066809
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(CCc1ccccc1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C24H27FN2O3/c25-21-9-6-20(7-10-21)16-27-23(29)12-14-26(17-24(27)13-15-30-18-24)22(28)11-8-19-4-2-1-3-5-19/h1-7,9-10H,8,11-18H2
InChIKeyFCHDANABFHFYNP-UHFFFAOYSA-N
XLogP3.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-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

6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066819
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 97396357
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066809) is 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is O=C(CCc1ccccc1)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is FCHDANABFHFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-21-9-6-20(7-10-21)16-27-23(29)12-14-26(17-24(27)13-15-30-18-24)22(28)11-8-19-4-2-1-3-5-19/h1-7,9-10H,8,11-18H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 410.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).