(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone

C22H27NO4 — CID 110357787

IUPAC(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(OC)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H27NO4/c1-25-19-10-9-18(15-20(19)26-2)22(24)23-13-11-17(12-14-23)21(27-3)16-7-5-4-6-8-16/h4-10,15,17,21H,11-14H2,1-3H3
InChIKeyGMAPPMOGRGOHCW-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.94
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 110357787) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID110357787
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(OC)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H27NO4/c1-25-19-10-9-18(15-20(19)26-2)22(24)23-13-11-17(12-14-23)21(27-3)16-7-5-4-6-8-16/h4-10,15,17,21H,11-14H2,1-3H3
InChIKeyGMAPPMOGRGOHCW-UHFFFAOYSA-N
XLogP3.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
CID 31990895
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone (CID 110357787) is (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(C(OC)c3ccccc3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is GMAPPMOGRGOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-19-10-9-18(15-20(19)26-2)22(24)23-13-11-17(12-14-23)21(27-3)16-7-5-4-6-8-16/h4-10,15,17,21H,11-14H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 369.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110357787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).