[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

C20H20FN3O2 — CID 51928971

IUPAC[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-26-18-9-8-13(11-15(18)21)20(25)24-10-4-5-14(12-24)19-22-16-6-2-3-7-17(16)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyDEXPYKNPBACORJ-CQSZACIVSA-N
MW353.40 g/mol
LogP3.73
Rot. Bonds3

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

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 51928971) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID51928971
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-26-18-9-8-13(11-15(18)21)20(25)24-10-4-5-14(12-24)19-22-16-6-2-3-7-17(16)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyDEXPYKNPBACORJ-CQSZACIVSA-N
XLogP3.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932428
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932415
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 51928971) is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DEXPYKNPBACORJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-18-9-8-13(11-15(18)21)20(25)24-10-4-5-14(12-24)19-22-16-6-2-3-7-17(16)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 353.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 51928971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).