2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C19H24FN3O2 — CID 97130479

IUPAC2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O2/c1-25-11-10-22-9-7-21-19(22)16-5-3-8-23(14-16)18(24)13-15-4-2-6-17(20)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyUGATXBINOWWIRX-INIZCTEOSA-N
MW345.42 g/mol
LogP2.62
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97130479) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID97130479
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O2/c1-25-11-10-22-9-7-21-19(22)16-5-3-8-23(14-16)18(24)13-15-4-2-6-17(20)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyUGATXBINOWWIRX-INIZCTEOSA-N
XLogP2.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97130479) is 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is UGATXBINOWWIRX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-25-11-10-22-9-7-21-19(22)16-5-3-8-23(14-16)18(24)13-15-4-2-6-17(20)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 345.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97130479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).