N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H31N3O5 — CID 6497513

IUPACN-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)c1
InChIInChI=1S/C26H31N3O5/c1-17-4-6-20(7-5-17)29-16-19(14-24(29)30)26(32)28-12-10-18(11-13-28)25(31)27-22-9-8-21(33-2)15-23(22)34-3/h4-9,15,18-19H,10-14,16H2,1-3H3,(H,27,31)
InChIKeyZDYOKJLWAQJZAS-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.24
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6497513) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID6497513
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)c1
InChIInChI=1S/C26H31N3O5/c1-17-4-6-20(7-5-17)29-16-19(14-24(29)30)26(32)28-12-10-18(11-13-28)25(31)27-22-9-8-21(33-2)15-23(22)34-3/h4-9,15,18-19H,10-14,16H2,1-3H3,(H,27,31)
InChIKeyZDYOKJLWAQJZAS-UHFFFAOYSA-N
XLogP3.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 6497513) is N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZDYOKJLWAQJZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-17-4-6-20(7-5-17)29-16-19(14-24(29)30)26(32)28-12-10-18(11-13-28)25(31)27-22-9-8-21(33-2)15-23(22)34-3/h4-9,15,18-19H,10-14,16H2,1-3H3,(H,27,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6497513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).