(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone

C22H26FNO4 — CID 42564860

IUPAC(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)c(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C22H26FNO4/c1-26-18-7-8-19(23)17(11-18)14-24-10-4-5-16(13-24)22(25)15-6-9-20(27-2)21(12-15)28-3/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m0/s1
InChIKeySQFAZIFENZSWIP-INIZCTEOSA-N
MW387.45 g/mol
LogP3.95
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 42564860) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID42564860
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)c(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C22H26FNO4/c1-26-18-7-8-19(23)17(11-18)14-24-10-4-5-16(13-24)22(25)15-6-9-20(27-2)21(12-15)28-3/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m0/s1
InChIKeySQFAZIFENZSWIP-INIZCTEOSA-N
XLogP3.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723667
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
(3-fluoro-4-methoxyphenyl)-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 25376846
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone (CID 42564860) is (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone is COc1ccc(F)c(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is SQFAZIFENZSWIP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-18-7-8-19(23)17(11-18)14-24-10-4-5-16(13-24)22(25)15-6-9-20(27-2)21(12-15)28-3/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 387.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 42564860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).