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

C22H24N2O5 — CID 113008009

IUPACmethyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-28-19-5-3-4-17(14-19)21(26)24-12-10-15(11-13-24)20(25)23-18-8-6-16(7-9-18)22(27)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,25)
InChIKeySDOMSOMIZXTWAJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.97
Rot. Bonds5

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

methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113008009) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113008009
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-28-19-5-3-4-17(14-19)21(26)24-12-10-15(11-13-24)20(25)23-18-8-6-16(7-9-18)22(27)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,25)
InChIKeySDOMSOMIZXTWAJ-UHFFFAOYSA-N
XLogP2.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate (CID 113008009) is methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is SDOMSOMIZXTWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-28-19-5-3-4-17(14-19)21(26)24-12-10-15(11-13-24)20(25)23-18-8-6-16(7-9-18)22(27)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate?
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 396.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113008009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).