(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone

C22H27NO3 — CID 70598788

IUPAC(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-4-16-5-7-17(8-6-16)18-11-13-23(14-12-18)22(24)19-9-10-20(25-2)21(15-19)26-3/h5-10,15,18H,4,11-14H2,1-3H3
InChIKeySJELADXIIYQXGS-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.29
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone (PubChem CID 70598788) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
PubChem CID70598788
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-4-16-5-7-17(8-6-16)18-11-13-23(14-12-18)22(24)19-9-10-20(25-2)21(15-19)26-3/h5-10,15,18H,4,11-14H2,1-3H3
InChIKeySJELADXIIYQXGS-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone (CID 70598788) is (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone is CCc1ccc(C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The InChIKey is SJELADXIIYQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-16-5-7-17(8-6-16)18-11-13-23(14-12-18)22(24)19-9-10-20(25-2)21(15-19)26-3/h5-10,15,18H,4,11-14H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone has a molecular weight of 353.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70598788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).