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

C22H24N2O5 — CID 42394704

IUPACmethyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1
InChIInChI=1S/C22H24N2O5/c1-28-19-8-4-3-7-18(19)20(25)16-6-5-13-24(14-16)22(27)23-17-11-9-15(10-12-17)21(26)29-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyHYFSRBKHLDHHOR-MRXNPFEDSA-N
MW396.44 g/mol
LogP3.61
Rot. Bonds5

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

methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate (PubChem CID 42394704) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
PubChem CID42394704
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1
InChIInChI=1S/C22H24N2O5/c1-28-19-8-4-3-7-18(19)20(25)16-6-5-13-24(14-16)22(27)23-17-11-9-15(10-12-17)21(26)29-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyHYFSRBKHLDHHOR-MRXNPFEDSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 45228536
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45190370

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate (CID 42394704) is methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1.
What is the InChIKey of methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate?
The InChIKey is HYFSRBKHLDHHOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-28-19-8-4-3-7-18(19)20(25)16-6-5-13-24(14-16)22(27)23-17-11-9-15(10-12-17)21(26)29-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate?
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate has a molecular weight of 396.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 42394704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).