1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

C18H22FN3O2 — CID 97116494

IUPAC1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-21-11-9-20-18(21)14-4-3-10-22(12-14)17(23)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3/t14-/m1/s1
InChIKeyQZNSOVKDYFQKDS-CQSZACIVSA-N
MW331.39 g/mol
LogP2.83
Rot. Bonds5

About 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 97116494) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID97116494
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-21-11-9-20-18(21)14-4-3-10-22(12-14)17(23)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3/t14-/m1/s1
InChIKeyQZNSOVKDYFQKDS-CQSZACIVSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
2-(4-fluorophenoxy)-1-[(3R)-3-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]ethanone
CID 95831047
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
2-(4-fluorophenoxy)-1-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124967078
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 97116494) is 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is CCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is QZNSOVKDYFQKDS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-21-11-9-20-18(21)14-4-3-10-22(12-14)17(23)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 331.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 97116494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).