cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone

C21H29N3O2 — CID 164611070

IUPACcyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone
SMILESCC(C)CCn1c(OC2CCN(C(=O)C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C21H29N3O2/c1-15(2)9-14-24-19-6-4-3-5-18(19)22-21(24)26-17-10-12-23(13-11-17)20(25)16-7-8-16/h3-6,15-17H,7-14H2,1-2H3
InChIKeyITLHIPUAZADETN-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.86
Rot. Bonds6

About cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone

cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 164611070) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone
PubChem CID164611070
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Namecyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone
SMILESCC(C)CCn1c(OC2CCN(C(=O)C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C21H29N3O2/c1-15(2)9-14-24-19-6-4-3-5-18(19)22-21(24)26-17-10-12-23(13-11-17)20(25)16-7-8-16/h3-6,15-17H,7-14H2,1-2H3
InChIKeyITLHIPUAZADETN-UHFFFAOYSA-N
XLogP3.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone
CID 164619982
8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 121370430
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
3-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-phenoxypyrrolidin-1-yl]propan-1-one
CID 126442985
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 17474003
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
4-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperazine-2-carboxylic acid
CID 56877047
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 33032009

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone (CID 164611070) is cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone is CC(C)CCn1c(OC2CCN(C(=O)C3CC3)CC2)nc2ccccc21.
What is the InChIKey of cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is ITLHIPUAZADETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15(2)9-14-24-19-6-4-3-5-18(19)22-21(24)26-17-10-12-23(13-11-17)20(25)16-7-8-16/h3-6,15-17H,7-14H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 164611070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).