2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

C18H21FN4O3 — CID 97278954

IUPAC2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C18H21FN4O3/c19-14-8-12(3-4-15(14)24)9-17(26)22-6-1-2-13(10-22)18-21-5-7-23(18)11-16(20)25/h3-5,7-8,13,24H,1-2,6,9-11H2,(H2,20,25)/t13-/m0/s1
InChIKeyFWEDOJFVDQWSID-ZDUSSCGKSA-N
MW360.39 g/mol
LogP1.16
Rot. Bonds5

About 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97278954) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97278954
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C18H21FN4O3/c19-14-8-12(3-4-15(14)24)9-17(26)22-6-1-2-13(10-22)18-21-5-7-23(18)11-16(20)25/h3-5,7-8,13,24H,1-2,6,9-11H2,(H2,20,25)/t13-/m0/s1
InChIKeyFWEDOJFVDQWSID-ZDUSSCGKSA-N
XLogP1.16
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 96575625
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
2-[2-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72844240
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-(3-fluoro-4-hydroxyphenyl)-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70715056
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97278954) is 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1.
What is the InChIKey of 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is FWEDOJFVDQWSID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-14-8-12(3-4-15(14)24)9-17(26)22-6-1-2-13(10-22)18-21-5-7-23(18)11-16(20)25/h3-5,7-8,13,24H,1-2,6,9-11H2,(H2,20,25)/t13-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97278954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).