N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide

C26H33N3O4 — CID 121316708

IUPACN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C26H33N3O4/c1-26(2,3)19-9-11-20(12-10-19)28-24(31)23(17-6-13-21(33-5)14-7-17)29(4)25(32)18-8-15-22(30)27-16-18/h6-7,9-14,18,23H,8,15-16H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyGCFJZCCWBLYZKL-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 121316708) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID121316708
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)C2CCC(=O)NC2)cc1
InChIInChI=1S/C26H33N3O4/c1-26(2,3)19-9-11-20(12-10-19)28-24(31)23(17-6-13-21(33-5)14-7-17)29(4)25(32)18-8-15-22(30)27-16-18/h6-7,9-14,18,23H,8,15-16H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyGCFJZCCWBLYZKL-UHFFFAOYSA-N
XLogP3.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
CID 121316815
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
(2R)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 9438617
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 121316708) is N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide is COc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)C2CCC(=O)NC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is GCFJZCCWBLYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-26(2,3)19-9-11-20(12-10-19)28-24(31)23(17-6-13-21(33-5)14-7-17)29(4)25(32)18-8-15-22(30)27-16-18/h6-7,9-14,18,23H,8,15-16H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 121316708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).