[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H27N3O4 — CID 7899072

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H27N3O4/c1-16-8-9-20(14-17(16)2)24-21(27)15-30-22(28)18-10-12-26(13-11-18)23(29)25-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyIKHNXAMYBYVWRM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.73
Rot. Bonds5

About [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7899072) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7899072
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H27N3O4/c1-16-8-9-20(14-17(16)2)24-21(27)15-30-22(28)18-10-12-26(13-11-18)23(29)25-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyIKHNXAMYBYVWRM-UHFFFAOYSA-N
XLogP3.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate 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

[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836488
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509
(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836685
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836759
[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739967
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836758
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42407622

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7899072) is [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is Cc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is IKHNXAMYBYVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-8-9-20(14-17(16)2)24-21(27)15-30-22(28)18-10-12-26(13-11-18)23(29)25-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7899072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).