methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate

C22H24N2O4 — CID 113007945

IUPACmethyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C22H24N2O4/c1-15-6-5-7-17(14-15)21(26)24-12-10-16(11-13-24)20(25)23-19-9-4-3-8-18(19)22(27)28-2/h3-9,14,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyDDTBMAGXQPLVCY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.27
Rot. Bonds4

About methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113007945) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113007945
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C22H24N2O4/c1-15-6-5-7-17(14-15)21(26)24-12-10-16(11-13-24)20(25)23-19-9-4-3-8-18(19)22(27)28-2/h3-9,14,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyDDTBMAGXQPLVCY-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 1330917
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate (CID 113007945) is methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is DDTBMAGXQPLVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-6-5-7-17(14-15)21(26)24-12-10-16(11-13-24)20(25)23-19-9-4-3-8-18(19)22(27)28-2/h3-9,14,16H,10-13H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113007945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).