methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate

C26H30N4O6 — CID 59486837

IUPACmethyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2cc(-c3ccc(OC)cc3)n(-c3cccc(OC)c3)n2)CCN(C(=O)N(C)O)CC1
InChIInChI=1S/C26H30N4O6/c1-28(33)25(32)29-14-12-26(13-15-29,24(31)36-4)23-17-22(18-8-10-20(34-2)11-9-18)30(27-23)19-6-5-7-21(16-19)35-3/h5-11,16-17,33H,12-15H2,1-4H3
InChIKeyKKTZZYAOZSYRFX-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.50
Rot. Bonds6

About methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate

methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate (PubChem CID 59486837) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate
PubChem CID59486837
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Namemethyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2cc(-c3ccc(OC)cc3)n(-c3cccc(OC)c3)n2)CCN(C(=O)N(C)O)CC1
InChIInChI=1S/C26H30N4O6/c1-28(33)25(32)29-14-12-26(13-15-29,24(31)36-4)23-17-22(18-8-10-20(34-2)11-9-18)30(27-23)19-6-5-7-21(16-19)35-3/h5-11,16-17,33H,12-15H2,1-4H3
InChIKeyKKTZZYAOZSYRFX-UHFFFAOYSA-N
XLogP3.50
TPSA106.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 59486996
1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid
CID 59486956
methyl 4-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-4-carboxylate
CID 89031788
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
CID 59486721
4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486588
4-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-4-hydroxycyclohexan-1-one
CID 67296510
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
4-(1,5-diphenylpyrazol-3-yl)-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486701

Frequently Asked Questions

What is the IUPAC name of methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate (CID 59486837) is methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate is COC(=O)C1(c2cc(-c3ccc(OC)cc3)n(-c3cccc(OC)c3)n2)CCN(C(=O)N(C)O)CC1.
What is the InChIKey of methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate?
The InChIKey is KKTZZYAOZSYRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-28(33)25(32)29-14-12-26(13-15-29,24(31)36-4)23-17-22(18-8-10-20(34-2)11-9-18)30(27-23)19-6-5-7-21(16-19)35-3/h5-11,16-17,33H,12-15H2,1-4H3.
What are the key properties of methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate?
methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate has a molecular weight of 494.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 59486837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).