1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone

C20H27N3O2 — CID 56814068

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
SMILESO=C(COC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22)
InChIKeyVPOLZPVSKXTKNX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone (PubChem CID 56814068) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
PubChem CID56814068
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
SMILESO=C(COC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22)
InChIKeyVPOLZPVSKXTKNX-UHFFFAOYSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 33114517
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone (CID 56814068) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone is O=C(COC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone?
The InChIKey is VPOLZPVSKXTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone has a molecular weight of 341.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone is sourced from PubChem (CID 56814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).