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

C22H26N2O4 — CID 167885152

IUPACmethyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCN2Cc2cccc(C)c2)cc1O
InChIInChI=1S/C22H26N2O4/c1-15-6-5-7-16(12-15)14-24-11-4-3-8-19(24)21(26)23-17-9-10-18(20(25)13-17)22(27)28-2/h5-7,9-10,12-13,19,25H,3-4,8,11,14H2,1-2H3,(H,23,26)
InChIKeySJBAHSKCBKRZOX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.48
Rot. Bonds5

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

methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate (PubChem CID 167885152) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
PubChem CID167885152
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCN2Cc2cccc(C)c2)cc1O
InChIInChI=1S/C22H26N2O4/c1-15-6-5-7-16(12-15)14-24-11-4-3-8-19(24)21(26)23-17-9-10-18(20(25)13-17)22(27)28-2/h5-7,9-10,12-13,19,25H,3-4,8,11,14H2,1-2H3,(H,23,26)
InChIKeySJBAHSKCBKRZOX-UHFFFAOYSA-N
XLogP3.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110613673
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate (CID 167885152) is methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCCCN2Cc2cccc(C)c2)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate?
The InChIKey is SJBAHSKCBKRZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-5-7-16(12-15)14-24-11-4-3-8-19(24)21(26)23-17-9-10-18(20(25)13-17)22(27)28-2/h5-7,9-10,12-13,19,25H,3-4,8,11,14H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate?
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 167885152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).