N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C21H28N4O4 — CID 24791843

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCCn1ccnc1CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-24-13-10-22-19(24)14-23-21(27)16-4-6-17(7-5-16)29-18-8-11-25(12-9-18)20(26)15-28-2/h4-7,10,13,18H,3,8-9,11-12,14-15H2,1-2H3,(H,23,27)
InChIKeyCMVOTCOYMLRRAM-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.85
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791843) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID24791843
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCCn1ccnc1CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-24-13-10-22-19(24)14-23-21(27)16-4-6-17(7-5-16)29-18-8-11-25(12-9-18)20(26)15-28-2/h4-7,10,13,18H,3,8-9,11-12,14-15H2,1-2H3,(H,23,27)
InChIKeyCMVOTCOYMLRRAM-UHFFFAOYSA-N
XLogP1.85
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 24791843) is N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is CCn1ccnc1CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is CMVOTCOYMLRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-3-24-13-10-22-19(24)14-23-21(27)16-4-6-17(7-5-16)29-18-8-11-25(12-9-18)20(26)15-28-2/h4-7,10,13,18H,3,8-9,11-12,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).