N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide

C27H34N4O4 — CID 59486697

IUPACN-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide
SMILESCCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2CC)CC1
InChIInChI=1S/C27H34N4O4/c1-5-30-25(20-9-13-23(35-4)14-10-20)24(19-7-11-22(34-3)12-8-19)28-26(30)21-15-17-29(18-16-21)27(32)31(33)6-2/h7-14,21,33H,5-6,15-18H2,1-4H3
InChIKeyJZLQBIIHPRHHGJ-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.26
Rot. Bonds7

About N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide

N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide (PubChem CID 59486697) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide
PubChem CID59486697
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide
SMILESCCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2CC)CC1
InChIInChI=1S/C27H34N4O4/c1-5-30-25(20-9-13-23(35-4)14-10-20)24(19-7-11-22(34-3)12-8-19)28-26(30)21-15-17-29(18-16-21)27(32)31(33)6-2/h7-14,21,33H,5-6,15-18H2,1-4H3
InChIKeyJZLQBIIHPRHHGJ-UHFFFAOYSA-N
XLogP5.26
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.26
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-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide (CID 59486697) is N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide is CCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2CC)CC1.
What is the InChIKey of N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide?
The InChIKey is JZLQBIIHPRHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-5-30-25(20-9-13-23(35-4)14-10-20)24(19-7-11-22(34-3)12-8-19)28-26(30)21-15-17-29(18-16-21)27(32)31(33)6-2/h7-14,21,33H,5-6,15-18H2,1-4H3.
What are the key properties of N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide?
N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 59486697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).