2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one

C22H25FN2O2 — CID 140559864

IUPAC2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one
SMILESCc1cccc2c1C(=O)N(OCC1CCN(Cc3cccc(F)c3)CC1)C2
InChIInChI=1S/C22H25FN2O2/c1-16-4-2-6-19-14-25(22(26)21(16)19)27-15-17-8-10-24(11-9-17)13-18-5-3-7-20(23)12-18/h2-7,12,17H,8-11,13-15H2,1H3
InChIKeyAMEQGSDLXXHLBA-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.93
Rot. Bonds5

About 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one

2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one (PubChem CID 140559864) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one
PubChem CID140559864
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one
SMILESCc1cccc2c1C(=O)N(OCC1CCN(Cc3cccc(F)c3)CC1)C2
InChIInChI=1S/C22H25FN2O2/c1-16-4-2-6-19-14-25(22(26)21(16)19)27-15-17-8-10-24(11-9-17)13-18-5-3-7-20(23)12-18/h2-7,12,17H,8-11,13-15H2,1H3
InChIKeyAMEQGSDLXXHLBA-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
5,6-diethoxy-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one
CID 10173392
2-cyclopropyl-5-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,7-dimethyl-3H-isoindole-1-carbaldehyde
CID 174560849
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
CID 88914851
CID 88914851
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351279
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one?
The IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one (CID 140559864) is 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one.
What is the SMILES notation for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one is Cc1cccc2c1C(=O)N(OCC1CCN(Cc3cccc(F)c3)CC1)C2.
What is the InChIKey of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one?
The InChIKey is AMEQGSDLXXHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-4-2-6-19-14-25(22(26)21(16)19)27-15-17-8-10-24(11-9-17)13-18-5-3-7-20(23)12-18/h2-7,12,17H,8-11,13-15H2,1H3.
What are the key properties of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one?
2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one has a molecular weight of 368.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 140559864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).