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

C22H27NO4 — CID 118760930

IUPAC[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(-c3ccc(OC)c(OC)c3)c2)C1
InChIInChI=1S/C22H27NO4/c1-25-15-16-6-5-11-23(14-16)22(24)19-8-4-7-17(12-19)18-9-10-20(26-2)21(13-18)27-3/h4,7-10,12-13,16H,5-6,11,14-15H2,1-3H3
InChIKeyOULBGCMOYNZQOM-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.87
Rot. Bonds6

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

[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 118760930) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID118760930
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(-c3ccc(OC)c(OC)c3)c2)C1
InChIInChI=1S/C22H27NO4/c1-25-15-16-6-5-11-23(14-16)22(24)19-8-4-7-17(12-19)18-9-10-20(26-2)21(13-18)27-3/h4,7-10,12-13,16H,5-6,11,14-15H2,1-3H3
InChIKeyOULBGCMOYNZQOM-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 118760930) is [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cccc(-c3ccc(OC)c(OC)c3)c2)C1.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is OULBGCMOYNZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-15-16-6-5-11-23(14-16)22(24)19-8-4-7-17(12-19)18-9-10-20(26-2)21(13-18)27-3/h4,7-10,12-13,16H,5-6,11,14-15H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 369.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118760930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).