6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

C26H32N2O5 — CID 3236294

IUPAC6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H32N2O5/c1-31-20-10-8-19(9-11-20)28-24(29)14-12-21(26(30)27-15-5-4-6-16-27)25(28)18-7-13-22(32-2)23(17-18)33-3/h7-11,13,17,21,25H,4-6,12,14-16H2,1-3H3
InChIKeyZHTZWVMZNGEMCV-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.21
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (PubChem CID 3236294) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
PubChem CID3236294
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H32N2O5/c1-31-20-10-8-19(9-11-20)28-24(29)14-12-21(26(30)27-15-5-4-6-16-27)25(28)18-7-13-22(32-2)23(17-18)33-3/h7-11,13,17,21,25H,4-6,12,14-16H2,1-3H3
InChIKeyZHTZWVMZNGEMCV-UHFFFAOYSA-N
XLogP4.21
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (CID 3236294) is 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The InChIKey is ZHTZWVMZNGEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-31-20-10-8-19(9-11-20)28-24(29)14-12-21(26(30)27-15-5-4-6-16-27)25(28)18-7-13-22(32-2)23(17-18)33-3/h7-11,13,17,21,25H,4-6,12,14-16H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one has a molecular weight of 452.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 3236294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).