N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C26H34N2O6 — CID 3236771

IUPACN-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O6/c1-7-16(2)27-26(30)20-12-13-23(29)28(24(20)17-8-10-19(31-3)11-9-17)18-14-21(32-4)25(34-6)22(15-18)33-5/h8-11,14-16,20,24H,7,12-13H2,1-6H3,(H,27,30)
InChIKeyWPOWLUNLGATGGF-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.12
Rot. Bonds9

About N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 3236771) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID3236771
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O6/c1-7-16(2)27-26(30)20-12-13-23(29)28(24(20)17-8-10-19(31-3)11-9-17)18-14-21(32-4)25(34-6)22(15-18)33-5/h8-11,14-16,20,24H,7,12-13H2,1-6H3,(H,27,30)
InChIKeyWPOWLUNLGATGGF-UHFFFAOYSA-N
XLogP4.12
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 3236771) is N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is CCC(C)NC(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is WPOWLUNLGATGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-7-16(2)27-26(30)20-12-13-23(29)28(24(20)17-8-10-19(31-3)11-9-17)18-14-21(32-4)25(34-6)22(15-18)33-5/h8-11,14-16,20,24H,7,12-13H2,1-6H3,(H,27,30).
What are the key properties of N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3236771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).