[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone

C26H27NO4 — CID 23264012

IUPAC[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Oc2cc(C(=O)N3CCCCC3)ccc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO4/c1-29-21-9-6-19(7-10-21)24-15-8-20(26(28)27-16-4-3-5-17-27)18-25(24)31-23-13-11-22(30-2)12-14-23/h6-15,18H,3-5,16-17H2,1-2H3
InChIKeyUPTRXXYDEMYRPW-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.79
Rot. Bonds6

About [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone

[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 23264012) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone
PubChem CID23264012
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Oc2cc(C(=O)N3CCCCC3)ccc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO4/c1-29-21-9-6-19(7-10-21)24-15-8-20(26(28)27-16-4-3-5-17-27)18-25(24)31-23-13-11-22(30-2)12-14-23/h6-15,18H,3-5,16-17H2,1-2H3
InChIKeyUPTRXXYDEMYRPW-UHFFFAOYSA-N
XLogP5.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone 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-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
methyl 2-[4-(azepane-1-carbonyl)phenyl]-5-methoxybenzoate
CID 118772454
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
azocan-1-yl-[4-(4-hydroxy-3-methoxyphenyl)phenyl]methanone
CID 118777173
(3,4-dimethoxyphenyl)-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91904721

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone (CID 23264012) is [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone is COc1ccc(Oc2cc(C(=O)N3CCCCC3)ccc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is UPTRXXYDEMYRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-29-21-9-6-19(7-10-21)24-15-8-20(26(28)27-16-4-3-5-17-27)18-25(24)31-23-13-11-22(30-2)12-14-23/h6-15,18H,3-5,16-17H2,1-2H3.
What are the key properties of [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone?
[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 417.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23264012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).