N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C25H26N2O5 — CID 3237657

IUPACN-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCc3ccco3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O5/c1-30-19-9-5-17(6-10-19)24-22(25(29)26-16-21-4-3-15-32-21)13-14-23(28)27(24)18-7-11-20(31-2)12-8-18/h3-12,15,22,24H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyJHUJLIIDWRHJFJ-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.10
Rot. Bonds7

About N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 3237657) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID3237657
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCc3ccco3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O5/c1-30-19-9-5-17(6-10-19)24-22(25(29)26-16-21-4-3-15-32-21)13-14-23(28)27(24)18-7-11-20(31-2)12-8-18/h3-12,15,22,24H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyJHUJLIIDWRHJFJ-UHFFFAOYSA-N
XLogP4.10
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 3237657) is N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCc3ccco3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JHUJLIIDWRHJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-19-9-5-17(6-10-19)24-22(25(29)26-16-21-4-3-15-32-21)13-14-23(28)27(24)18-7-11-20(31-2)12-8-18/h3-12,15,22,24H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).