N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide

C22H25FN4O2 — CID 1469516

IUPACN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3cnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H25FN4O2/c1-2-29-19-6-4-17(5-7-19)25-22(28)14-26-11-9-18(10-12-26)27-15-24-20-13-16(23)3-8-21(20)27/h3-8,13,15,18H,2,9-12,14H2,1H3,(H,25,28)
InChIKeyIUHQUEFTCBXFCO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.85
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469516) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469516
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3cnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H25FN4O2/c1-2-29-19-6-4-17(5-7-19)25-22(28)14-26-11-9-18(10-12-26)27-15-24-20-13-16(23)3-8-21(20)27/h3-8,13,15,18H,2,9-12,14H2,1H3,(H,25,28)
InChIKeyIUHQUEFTCBXFCO-UHFFFAOYSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide (CID 1469516) is N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCC(n3cnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is IUHQUEFTCBXFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-2-29-19-6-4-17(5-7-19)25-22(28)14-26-11-9-18(10-12-26)27-15-24-20-13-16(23)3-8-21(20)27/h3-8,13,15,18H,2,9-12,14H2,1H3,(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).