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

C27H34N2O6 — CID 3237621

IUPAC6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H34N2O6/c1-32-20-10-8-18(9-11-20)25-21(27(31)28-14-6-5-7-15-28)12-13-24(30)29(25)19-16-22(33-2)26(35-4)23(17-19)34-3/h8-11,16-17,21,25H,5-7,12-15H2,1-4H3
InChIKeyQAICVUGPWYZAJL-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.22
Rot. Bonds7

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

6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one (PubChem CID 3237621) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
PubChem CID3237621
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H34N2O6/c1-32-20-10-8-18(9-11-20)25-21(27(31)28-14-6-5-7-15-28)12-13-24(30)29(25)19-16-22(33-2)26(35-4)23(17-19)34-3/h8-11,16-17,21,25H,5-7,12-15H2,1-4H3
InChIKeyQAICVUGPWYZAJL-UHFFFAOYSA-N
XLogP4.22
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one (CID 3237621) is 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one is COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one?
The InChIKey is QAICVUGPWYZAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-32-20-10-8-18(9-11-20)25-21(27(31)28-14-6-5-7-15-28)12-13-24(30)29(25)19-16-22(33-2)26(35-4)23(17-19)34-3/h8-11,16-17,21,25H,5-7,12-15H2,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one?
6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one has a molecular weight of 482.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 3237621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).