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

C21H28N2O4 — CID 109146046

IUPACmethyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H28N2O4/c1-27-21(26)17-9-11-18(12-10-17)22-19(24)15-5-7-16(8-6-15)20(25)23-13-3-2-4-14-23/h9-12,15-16H,2-8,13-14H2,1H3,(H,22,24)
InChIKeyHQWLONZOJOKJAY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.23
Rot. Bonds4

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

methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate (PubChem CID 109146046) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
PubChem CID109146046
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namemethyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H28N2O4/c1-27-21(26)17-9-11-18(12-10-17)22-19(24)15-5-7-16(8-6-15)20(25)23-13-3-2-4-14-23/h9-12,15-16H,2-8,13-14H2,1H3,(H,22,24)
InChIKeyHQWLONZOJOKJAY-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]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

methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008005
methyl 4-[[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53170457

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate (CID 109146046) is methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The InChIKey is HQWLONZOJOKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-27-21(26)17-9-11-18(12-10-17)22-19(24)15-5-7-16(8-6-15)20(25)23-13-3-2-4-14-23/h9-12,15-16H,2-8,13-14H2,1H3,(H,22,24).
What are the key properties of methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate has a molecular weight of 372.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 109146046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).