(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H25NO4 — CID 119033998

IUPAC(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-24-18-13-16(14-19(25-2)20(18)26-3)21(23)22-12-8-7-11-17(22)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKeyDPXMHDFYASJXPL-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.08
Rot. Bonds5

About (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 119033998) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID119033998
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-24-18-13-16(14-19(25-2)20(18)26-3)21(23)22-12-8-7-11-17(22)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKeyDPXMHDFYASJXPL-UHFFFAOYSA-N
XLogP4.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)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

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280

Frequently Asked Questions

What is the IUPAC name of (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 119033998) is (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCCCC2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DPXMHDFYASJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-13-16(14-19(25-2)20(18)26-3)21(23)22-12-8-7-11-17(22)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3.
What are the key properties of (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 119033998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).