[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C25H32N2O3 — CID 90616349

IUPAC[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-29-23-12-16-26(17-13-23)22-10-14-27(15-11-22)25(28)20-8-6-19(7-9-20)21-4-3-5-24(18-21)30-2/h3-9,18,22-23H,10-17H2,1-2H3
InChIKeyWYTYWFSRQMLBCN-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.08
Rot. Bonds5

About [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616349) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616349
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c1
InChIInChI=1S/C25H32N2O3/c1-29-23-12-16-26(17-13-23)22-10-14-27(15-11-22)25(28)20-8-6-19(7-9-20)21-4-3-5-24(18-21)30-2/h3-9,18,22-23H,10-17H2,1-2H3
InChIKeyWYTYWFSRQMLBCN-UHFFFAOYSA-N
XLogP4.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616553
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 97427242
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea
CID 134799087

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616349) is [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COc1cccc(-c2ccc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is WYTYWFSRQMLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-23-12-16-26(17-13-23)22-10-14-27(15-11-22)25(28)20-8-6-19(7-9-20)21-4-3-5-24(18-21)30-2/h3-9,18,22-23H,10-17H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 408.54 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 [4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).