[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

C24H28N4O5 — CID 55444689

IUPAC[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C24H28N4O5/c1-16-8-6-12-20(17(16)2)26-23(31)27-21(29)15-33-22(30)18-9-7-13-28(14-18)24(32)25-19-10-4-3-5-11-19/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3,(H,25,32)(H2,26,27,29,31)
InChIKeyWTCVADFBDTYOSX-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.44
Rot. Bonds5

About [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55444689) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55444689
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C24H28N4O5/c1-16-8-6-12-20(17(16)2)26-23(31)27-21(29)15-33-22(30)18-9-7-13-28(14-18)24(32)25-19-10-4-3-5-11-19/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3,(H,25,32)(H2,26,27,29,31)
InChIKeyWTCVADFBDTYOSX-UHFFFAOYSA-N
XLogP3.44
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] (3S)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95591572
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426103
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
CID 55818110

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55444689) is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is Cc1cccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is WTCVADFBDTYOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-16-8-6-12-20(17(16)2)26-23(31)27-21(29)15-33-22(30)18-9-7-13-28(14-18)24(32)25-19-10-4-3-5-11-19/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3,(H,25,32)(H2,26,27,29,31).
What are the key properties of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).