1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone

C19H19N3O2 — CID 167892131

IUPAC1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C19H19N3O2/c23-19(18-20-16-10-4-5-11-17(16)21-18)22-12-6-9-15(13-22)24-14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,21)/t15-/m1/s1
InChIKeyTZXSDQYTCVTFLX-OAHLLOKOSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds3

About 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone

1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone (PubChem CID 167892131) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
PubChem CID167892131
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C19H19N3O2/c23-19(18-20-16-10-4-5-11-17(16)21-18)22-12-6-9-15(13-22)24-14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,21)/t15-/m1/s1
InChIKeyTZXSDQYTCVTFLX-OAHLLOKOSA-N
XLogP3.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 110614922
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
CID 58547935
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122255912
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone (CID 167892131) is 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone?
The InChIKey is TZXSDQYTCVTFLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(18-20-16-10-4-5-11-17(16)21-18)22-12-6-9-15(13-22)24-14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone?
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone is sourced from PubChem (CID 167892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).