3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide

C23H23FN4O3 — CID 86945296

IUPAC3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)N2CCCCC2c2ncc(-c3cccc(F)c3)[nH]2)c1
InChIInChI=1S/C23H23FN4O3/c24-17-7-3-5-15(11-17)19-13-26-23(27-19)20-9-1-2-10-28(20)21(29)14-31-18-8-4-6-16(12-18)22(25)30/h3-8,11-13,20H,1-2,9-10,14H2,(H2,25,30)(H,26,27)
InChIKeyMPSODZBHXYJOPN-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.45
Rot. Bonds6

About 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide

3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 86945296) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID86945296
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)N2CCCCC2c2ncc(-c3cccc(F)c3)[nH]2)c1
InChIInChI=1S/C23H23FN4O3/c24-17-7-3-5-15(11-17)19-13-26-23(27-19)20-9-1-2-10-28(20)21(29)14-31-18-8-4-6-16(12-18)22(25)30/h3-8,11-13,20H,1-2,9-10,14H2,(H2,25,30)(H,26,27)
InChIKeyMPSODZBHXYJOPN-UHFFFAOYSA-N
XLogP3.45
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 86945325
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 96533760
1-[(2R)-2-[3-(3,5-difluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687172
4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
CID 154833142
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-(3-fluoro-4-methoxyphenyl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 126766506
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
1-[2-[5-(3-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 174731623
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide (CID 86945296) is 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)N2CCCCC2c2ncc(-c3cccc(F)c3)[nH]2)c1.
What is the InChIKey of 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is MPSODZBHXYJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-17-7-3-5-15(11-17)19-13-26-23(27-19)20-9-1-2-10-28(20)21(29)14-31-18-8-4-6-16(12-18)22(25)30/h3-8,11-13,20H,1-2,9-10,14H2,(H2,25,30)(H,26,27).
What are the key properties of 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide?
3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 422.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 86945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).