3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one

C24H32N2O4 — CID 16746315

IUPAC3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-25(2)18-10-8-17(9-11-18)20(16-23(28)26-12-6-5-7-13-26)24-21(27)14-19(29-3)15-22(24)30-4/h8-11,14-15,20,27H,5-7,12-13,16H2,1-4H3
InChIKeyMDJOJUOFAZKAPL-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.01
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one

3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 16746315) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID16746315
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-25(2)18-10-8-17(9-11-18)20(16-23(28)26-12-6-5-7-13-26)24-21(27)14-19(29-3)15-22(24)30-4/h8-11,14-15,20,27H,5-7,12-13,16H2,1-4H3
InChIKeyMDJOJUOFAZKAPL-UHFFFAOYSA-N
XLogP4.01
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 592024
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
CID 16746329
5-(2-Hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
CID 44818098
5-(2-Hydroxy-4-methoxybenzoyl)-1-(o-tolyl)pyridin-2(1h)-one
CID 44818099
1-(3,5-Dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 46943306
[3-hydroxy-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenyl] pyrrolidine-1-carboxylate
CID 134130716
3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide
CID 16746263
8-[1-[4-(Dimethylamino)phenyl]-3-(3-methylpiperidin-1-yl)propyl]-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 16746267
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 16746337
2-[1-[4-(Dimethylamino)phenyl]-3-pyrrolidin-1-ylpropyl]-3,5-dimethoxyphenol
CID 16746417
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746430
3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
CID 16746431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one (CID 16746315) is 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one is COc1cc(O)c(C(CC(=O)N2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MDJOJUOFAZKAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-25(2)18-10-8-17(9-11-18)20(16-23(28)26-12-6-5-7-13-26)24-21(27)14-19(29-3)15-22(24)30-4/h8-11,14-15,20,27H,5-7,12-13,16H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 412.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 16746315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).