ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate

C23H26N2O4 — CID 109044984

IUPACethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-29-23(28)19-6-4-5-7-20(19)24-21(26)17-8-10-18(11-9-17)22(27)25-14-12-16(2)13-15-25/h4-11,16H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyXXFMHMRZHIKSSF-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.99
Rot. Bonds5

About ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate

ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate (PubChem CID 109044984) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
PubChem CID109044984
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-29-23(28)19-6-4-5-7-20(19)24-21(26)17-8-10-18(11-9-17)22(27)25-14-12-16(2)13-15-25/h4-11,16H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyXXFMHMRZHIKSSF-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109107562
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
CID 4945241
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate (CID 109044984) is ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate?
The InChIKey is XXFMHMRZHIKSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-29-23(28)19-6-4-5-7-20(19)24-21(26)17-8-10-18(11-9-17)22(27)25-14-12-16(2)13-15-25/h4-11,16H,3,12-15H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate?
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109044984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).