1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide

C28H31N3O3 — CID 16909376

IUPAC1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C28H31N3O3/c1-20-16-21(2)18-24(17-20)29-27(32)19-31-14-12-22(13-15-31)28(33)30-23-8-10-26(11-9-23)34-25-6-4-3-5-7-25/h3-11,16-18,22H,12-15,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAIGSAYIODNISOL-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.38
Rot. Bonds7

About 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide

1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 16909376) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID16909376
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C28H31N3O3/c1-20-16-21(2)18-24(17-20)29-27(32)19-31-14-12-22(13-15-31)28(33)30-23-8-10-26(11-9-23)34-25-6-4-3-5-7-25/h3-11,16-18,22H,12-15,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAIGSAYIODNISOL-UHFFFAOYSA-N
XLogP5.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-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-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 37178939
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909372
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
2-[1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 166267199
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 16909376) is 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is AIGSAYIODNISOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-16-21(2)18-24(17-20)29-27(32)19-31-14-12-22(13-15-31)28(33)30-23-8-10-26(11-9-23)34-25-6-4-3-5-7-25/h3-11,16-18,22H,12-15,19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).