1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride

C24H30ClNO4 — CID 45048917

IUPAC1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
SMILESCOc1ccc(C(=O)CC2CCCC(CC(=O)c3ccc(OC)cc3)N2C)cc1.Cl
InChIInChI=1S/C24H29NO4.ClH/c1-25-19(15-23(26)17-7-11-21(28-2)12-8-17)5-4-6-20(25)16-24(27)18-9-13-22(29-3)14-10-18;/h7-14,19-20H,4-6,15-16H2,1-3H3;1H
InChIKeyDAYYLYDFZZVOLO-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.82
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride

1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride (PubChem CID 45048917) has the molecular formula C24H30ClNO4 and a molecular weight of 431.96 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
PubChem CID45048917
Molecular FormulaC24H30ClNO4
Molecular Weight431.96 g/mol
Exact Mass431.19
IUPAC Name1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
SMILESCOc1ccc(C(=O)CC2CCCC(CC(=O)c3ccc(OC)cc3)N2C)cc1.Cl
InChIInChI=1S/C24H29NO4.ClH/c1-25-19(15-23(26)17-7-11-21(28-2)12-8-17)5-4-6-20(25)16-24(27)18-9-13-22(29-3)14-10-18;/h7-14,19-20H,4-6,15-16H2,1-3H3;1H
InChIKeyDAYYLYDFZZVOLO-UHFFFAOYSA-N
XLogP4.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
tert-butyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724026
2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 141157601
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
S-ethyl 2-[(1S,2S)-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentyl]ethanethioate
CID 154715236
1-(4-methoxyphenyl)-2-[(2S,6R)-6-(nitromethyl)oxan-2-yl]ethanone
CID 102440764
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 70676957
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
CID 74412786
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride (CID 45048917) is 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride is COc1ccc(C(=O)CC2CCCC(CC(=O)c3ccc(OC)cc3)N2C)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride?
The InChIKey is DAYYLYDFZZVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4.ClH/c1-25-19(15-23(26)17-7-11-21(28-2)12-8-17)5-4-6-20(25)16-24(27)18-9-13-22(29-3)14-10-18;/h7-14,19-20H,4-6,15-16H2,1-3H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride?
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 45048917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).