2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C25H34N4O2 — CID 3220766

IUPAC2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-16-10-17(2)14-22(13-16)27-25(31)26-21-6-8-29(9-7-21)15-23(30)28-24-19(4)11-18(3)12-20(24)5/h10-14,21H,6-9,15H2,1-5H3,(H,28,30)(H2,26,27,31)
InChIKeyGMEHNQFCXUNGOP-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.45
Rot. Bonds5

About 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3220766) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3220766
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-16-10-17(2)14-22(13-16)27-25(31)26-21-6-8-29(9-7-21)15-23(30)28-24-19(4)11-18(3)12-20(24)5/h10-14,21H,6-9,15H2,1-5H3,(H,28,30)(H2,26,27,31)
InChIKeyGMEHNQFCXUNGOP-UHFFFAOYSA-N
XLogP4.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide 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-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 3220948
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47032176
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 139001577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 3220766) is 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1.
What is the InChIKey of 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GMEHNQFCXUNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-16-10-17(2)14-22(13-16)27-25(31)26-21-6-8-29(9-7-21)15-23(30)28-24-19(4)11-18(3)12-20(24)5/h10-14,21H,6-9,15H2,1-5H3,(H,28,30)(H2,26,27,31).
What are the key properties of 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3220766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).