oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

C20H27N3O2 — CID 91947350

IUPACoxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)C3CCCO3)C2)nc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-11-23-17-9-4-3-8-16(17)21-19(23)15-7-5-12-22(14-15)20(24)18-10-6-13-25-18/h3-4,8-9,15,18H,2,5-7,10-14H2,1H3
InChIKeyXEFXTUJQYVUXIH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.33
Rot. Bonds4

About oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947350) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947350
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nameoxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)C3CCCO3)C2)nc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-11-23-17-9-4-3-8-16(17)21-19(23)15-7-5-12-22(14-15)20(24)18-10-6-13-25-18/h3-4,8-9,15,18H,2,5-7,10-14H2,1H3
InChIKeyXEFXTUJQYVUXIH-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
(6-methyl-1,2,4-benzotriazin-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947275
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947244
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 91947285
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947259
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947243
1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 91947231
2-methyl-2-[3-(1-propylbenzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 91947280

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947350) is oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCCn1c(C2CCCN(C(=O)C3CCCO3)C2)nc2ccccc21.
What is the InChIKey of oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XEFXTUJQYVUXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-11-23-17-9-4-3-8-16(17)21-19(23)15-7-5-12-22(14-15)20(24)18-10-6-13-25-18/h3-4,8-9,15,18H,2,5-7,10-14H2,1H3.
What are the key properties of oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).