3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H24FN3O3 — CID 46524673

IUPAC3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F
InChIInChI=1S/C22H24FN3O3/c1-29-20-8-6-15(14-17(20)23)7-9-21(27)25-12-10-16(11-13-25)26-19-5-3-2-4-18(19)24-22(26)28/h2-6,8,14,16H,7,9-13H2,1H3,(H,24,28)
InChIKeyAPPIHVMNRPXHKM-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.27
Rot. Bonds5

About 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 46524673) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID46524673
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F
InChIInChI=1S/C22H24FN3O3/c1-29-20-8-6-15(14-17(20)23)7-9-21(27)25-12-10-16(11-13-25)26-19-5-3-2-4-18(19)24-22(26)28/h2-6,8,14,16H,7,9-13H2,1H3,(H,24,28)
InChIKeyAPPIHVMNRPXHKM-UHFFFAOYSA-N
XLogP3.27
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-(3-fluoro-4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119543300
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507
3-[1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70707174
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
3-[(3S)-1-[2-(3-bromo-4-methoxyphenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098589
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 46524673) is 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F.
What is the InChIKey of 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is APPIHVMNRPXHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-29-20-8-6-15(14-17(20)23)7-9-21(27)25-12-10-16(11-13-25)26-19-5-3-2-4-18(19)24-22(26)28/h2-6,8,14,16H,7,9-13H2,1H3,(H,24,28).
What are the key properties of 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 397.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 46524673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).