2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone

C17H19F2N3O2 — CID 11198440

IUPAC2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C17H19F2N3O2/c18-15-2-1-12(7-16(15)19)8-17(23)22-5-3-14(4-6-22)24-10-13-9-20-11-21-13/h1-2,7,9,11,14H,3-6,8,10H2,(H,20,21)
InChIKeyFAPUTYVYHGLXHU-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.44
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone

2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 11198440) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID11198440
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C17H19F2N3O2/c18-15-2-1-12(7-16(15)19)8-17(23)22-5-3-14(4-6-22)24-10-13-9-20-11-21-13/h1-2,7,9,11,14H,3-6,8,10H2,(H,20,21)
InChIKeyFAPUTYVYHGLXHU-UHFFFAOYSA-N
XLogP2.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11394532
1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11449605
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-(3,4-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999486
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517329
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
CID 166204958
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone (CID 11198440) is 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)c(F)c1)N1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is FAPUTYVYHGLXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c18-15-2-1-12(7-16(15)19)8-17(23)22-5-3-14(4-6-22)24-10-13-9-20-11-21-13/h1-2,7,9,11,14H,3-6,8,10H2,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 335.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 11198440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).