[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone

C21H23F2NO4 — CID 93223576

IUPAC[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C21H23F2NO4/c1-26-17-9-15(10-18(11-17)27-2)21(25)24-7-3-4-16(12-24)28-13-14-5-6-19(22)20(23)8-14/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3/t16-/m0/s1
InChIKeyZRJVHRIZAYDVRP-INIZCTEOSA-N
MW391.41 g/mol
LogP3.80
Rot. Bonds6

About [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone

[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 93223576) has the molecular formula C21H23F2NO4 and a molecular weight of 391.41 g/mol. Its IUPAC name is [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID93223576
Molecular FormulaC21H23F2NO4
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C21H23F2NO4/c1-26-17-9-15(10-18(11-17)27-2)21(25)24-7-3-4-16(12-24)28-13-14-5-6-19(22)20(23)8-14/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3/t16-/m0/s1
InChIKeyZRJVHRIZAYDVRP-INIZCTEOSA-N
XLogP3.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone with MolForge

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Related Compounds

[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223844
[(3R)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223845
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
CID 93223584
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 93223576) is [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1.
What is the InChIKey of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is ZRJVHRIZAYDVRP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23F2NO4/c1-26-17-9-15(10-18(11-17)27-2)21(25)24-7-3-4-16(12-24)28-13-14-5-6-19(22)20(23)8-14/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 391.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 93223576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).