2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

C17H20FN3O — CID 124998243

IUPAC2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-10-19-17(20-12)14-5-3-7-21(11-14)16(22)9-13-4-2-6-15(18)8-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyRGJFOBXTAFZDPQ-AWEZNQCLSA-N
MW301.36 g/mol
LogP2.81
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 124998243) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID124998243
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-10-19-17(20-12)14-5-3-7-21(11-14)16(22)9-13-4-2-6-15(18)8-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyRGJFOBXTAFZDPQ-AWEZNQCLSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 110104199
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 16671019
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 124998243) is 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is Cc1cnc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RGJFOBXTAFZDPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-10-19-17(20-12)14-5-3-7-21(11-14)16(22)9-13-4-2-6-15(18)8-13/h2,4,6,8,10,14H,3,5,7,9,11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 301.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124998243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).