(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C21H24FNO4 — CID 110411665

IUPAC(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(COc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H24FNO4/c1-25-19-11-16(12-20(13-19)26-2)21(24)23-9-7-15(8-10-23)14-27-18-5-3-17(22)4-6-18/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyVSDAOSWWQFPUSD-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.77
Rot. Bonds6

About (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 110411665) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID110411665
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(COc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H24FNO4/c1-25-19-11-16(12-20(13-19)26-2)21(24)23-9-7-15(8-10-23)14-27-18-5-3-17(22)4-6-18/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyVSDAOSWWQFPUSD-UHFFFAOYSA-N
XLogP3.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 71784802
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 110411665) is (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(COc3ccc(F)cc3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is VSDAOSWWQFPUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-25-19-11-16(12-20(13-19)26-2)21(24)23-9-7-15(8-10-23)14-27-18-5-3-17(22)4-6-18/h3-6,11-13,15H,7-10,14H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110411665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).