(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone

C25H34N2O4 — CID 25492240

IUPAC(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OCCN(C)C)cc3)C2)c(OC)c1
InChIInChI=1S/C25H34N2O4/c1-26(2)14-15-31-21-9-7-19(8-10-21)17-27-13-5-6-20(18-27)25(28)23-12-11-22(29-3)16-24(23)30-4/h7-12,16,20H,5-6,13-15,17-18H2,1-4H3/t20-/m1/s1
InChIKeyCYLIEGYCQGEHQM-HXUWFJFHSA-N
MW426.56 g/mol
LogP3.74
Rot. Bonds10

About (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone (PubChem CID 25492240) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
PubChem CID25492240
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OCCN(C)C)cc3)C2)c(OC)c1
InChIInChI=1S/C25H34N2O4/c1-26(2)14-15-31-21-9-7-19(8-10-21)17-27-13-5-6-20(18-27)25(28)23-12-11-22(29-3)16-24(23)30-4/h7-12,16,20H,5-6,13-15,17-18H2,1-4H3/t20-/m1/s1
InChIKeyCYLIEGYCQGEHQM-HXUWFJFHSA-N
XLogP3.74
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25283002
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
CID 45191829
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone (CID 25492240) is (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OCCN(C)C)cc3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone?
The InChIKey is CYLIEGYCQGEHQM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-26(2)14-15-31-21-9-7-19(8-10-21)17-27-13-5-6-20(18-27)25(28)23-12-11-22(29-3)16-24(23)30-4/h7-12,16,20H,5-6,13-15,17-18H2,1-4H3/t20-/m1/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25492240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).