methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate

C20H28N2O4 — CID 113008005

IUPACmethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-4-14(5-2)19(24)22-12-10-15(11-13-22)18(23)21-17-8-6-16(7-9-17)20(25)26-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,23)
InChIKeyJHNFZGTUVAIANH-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.09
Rot. Bonds6

About methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate

methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113008005) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113008005
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namemethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-4-14(5-2)19(24)22-12-10-15(11-13-22)18(23)21-17-8-6-16(7-9-17)20(25)26-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,23)
InChIKeyJHNFZGTUVAIANH-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate 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

ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
methyl 4-[[1-(2-thiophen-2-ylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008012
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide
CID 119763556

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate (CID 113008005) is methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate is CCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is JHNFZGTUVAIANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-14(5-2)19(24)22-12-10-15(11-13-22)18(23)21-17-8-6-16(7-9-17)20(25)26-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate?
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 360.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113008005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).