2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C27H26N6O4 — CID 16548280

IUPAC2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H26N6O4/c1-36-21-12-10-19(11-13-21)33-25(34)15-14-23(26(33)22-8-3-4-9-24(22)37-2)27(35)29-18-6-5-7-20(16-18)32-17-28-30-31-32/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,29,35)
InChIKeyPVFGBDGNKKYBKQ-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.80
Rot. Bonds7

About 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 16548280) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID16548280
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H26N6O4/c1-36-21-12-10-19(11-13-21)33-25(34)15-14-23(26(33)22-8-3-4-9-24(22)37-2)27(35)29-18-6-5-7-20(16-18)32-17-28-30-31-32/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,29,35)
InChIKeyPVFGBDGNKKYBKQ-UHFFFAOYSA-N
XLogP3.80
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 16548280) is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is PVFGBDGNKKYBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-36-21-12-10-19(11-13-21)33-25(34)15-14-23(26(33)22-8-3-4-9-24(22)37-2)27(35)29-18-6-5-7-20(16-18)32-17-28-30-31-32/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,29,35).
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 16548280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).