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

C21H23F2NO3 — CID 26400044

IUPAC[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c(OC)c1
InChIInChI=1S/C21H23F2NO3/c1-26-16-6-7-17(20(11-16)27-2)21(25)15-4-3-9-24(13-15)12-14-5-8-18(22)19(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyQVDNXQSROJZUJF-HNNXBMFYSA-N
MW375.42 g/mol
LogP4.08
Rot. Bonds6

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

[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 26400044) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID26400044
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c(OC)c1
InChIInChI=1S/C21H23F2NO3/c1-26-16-6-7-17(20(11-16)27-2)21(25)15-4-3-9-24(13-15)12-14-5-8-18(22)19(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyQVDNXQSROJZUJF-HNNXBMFYSA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
CID 45191829
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone (CID 26400044) is [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c(OC)c1.
What is the InChIKey of [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is QVDNXQSROJZUJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-26-16-6-7-17(20(11-16)27-2)21(25)15-4-3-9-24(13-15)12-14-5-8-18(22)19(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone?
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 375.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 26400044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).