2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide

C18H23FN4O2 — CID 97283919

IUPAC2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c19-15-3-5-16(6-4-15)25-11-10-22-8-1-2-14(12-22)18-21-7-9-23(18)13-17(20)24/h3-7,9,14H,1-2,8,10-13H2,(H2,20,24)/t14-/m1/s1
InChIKeyFLOZSWYKBORJIR-CQSZACIVSA-N
MW346.41 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97283919) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97283919
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c19-15-3-5-16(6-4-15)25-11-10-22-8-1-2-14(12-22)18-21-7-9-23(18)13-17(20)24/h3-7,9,14H,1-2,8,10-13H2,(H2,20,24)/t14-/m1/s1
InChIKeyFLOZSWYKBORJIR-CQSZACIVSA-N
XLogP1.77
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97283919) is 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is FLOZSWYKBORJIR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-15-3-5-16(6-4-15)25-11-10-22-8-1-2-14(12-22)18-21-7-9-23(18)13-17(20)24/h3-7,9,14H,1-2,8,10-13H2,(H2,20,24)/t14-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97283919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).