N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide

C26H32N4O4 — CID 59486635

IUPACN-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)N(O)C(C)C)CC3)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C26H32N4O4/c1-18(2)30(32)26(31)28-15-13-19(14-16-28)23-17-24(22-7-5-6-8-25(22)34-4)29(27-23)20-9-11-21(33-3)12-10-20/h5-12,17-19,32H,13-16H2,1-4H3
InChIKeyJWGUBKWUILMANO-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.96
Rot. Bonds6

About N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide

N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59486635) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID59486635
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)N(O)C(C)C)CC3)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C26H32N4O4/c1-18(2)30(32)26(31)28-15-13-19(14-16-28)23-17-24(22-7-5-6-8-25(22)34-4)29(27-23)20-9-11-21(33-3)12-10-20/h5-12,17-19,32H,13-16H2,1-4H3
InChIKeyJWGUBKWUILMANO-UHFFFAOYSA-N
XLogP4.96
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 59486635) is N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide is COc1ccc(-n2nc(C3CCN(C(=O)N(O)C(C)C)CC3)cc2-c2ccccc2OC)cc1.
What is the InChIKey of N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is JWGUBKWUILMANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18(2)30(32)26(31)28-15-13-19(14-16-28)23-17-24(22-7-5-6-8-25(22)34-4)29(27-23)20-9-11-21(33-3)12-10-20/h5-12,17-19,32H,13-16H2,1-4H3.
What are the key properties of N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).