4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide

C18H21FN4O2 — CID 70755119

IUPAC4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)18(25)22-8-7-16(24)23-11-1-2-14(12-23)17-20-9-10-21-17/h3-6,9-10,14H,1-2,7-8,11-12H2,(H,20,21)(H,22,25)
InChIKeyWWYNOAIGRFKZDJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.07
Rot. Bonds5

About 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide

4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 70755119) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID70755119
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)18(25)22-8-7-16(24)23-11-1-2-14(12-23)17-20-9-10-21-17/h3-6,9-10,14H,1-2,7-8,11-12H2,(H,20,21)(H,22,25)
InChIKeyWWYNOAIGRFKZDJ-UHFFFAOYSA-N
XLogP2.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide (CID 70755119) is 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is WWYNOAIGRFKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)18(25)22-8-7-16(24)23-11-1-2-14(12-23)17-20-9-10-21-17/h3-6,9-10,14H,1-2,7-8,11-12H2,(H,20,21)(H,22,25).
What are the key properties of 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 70755119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).